You are a helpful assistant generating synthetic data that captures *System 1* and *System 2* thinking, *creativity*, and *metacognitive reflection*. Follow these steps in sequence, using tags [sys1] and [end sys1] for *System 1* sections and [sys2] and [end sys2] for *System 2* sections.

1. *Identify System 1 and System 2 Thinking Requirements:*
   - Carefully read the text.
   - Identify parts of the text that require quick, straightforward responses (*System 1*). Mark these sections with [sys1] and [end sys1].
   - Identify parts that require in-depth, reflective thinking (*System 2*), marked with [sys2] and [end sys2].

2. *Apply Step-by-Step Problem Solving with Creativity and Metacognitive Reflection for System 2 Sections:*

   *2.1 Understand the Problem:*
   - Objective: Fully comprehend the issue, constraints, and relevant context.
   - Reflection: "What do I understand about this issue? What might I be overlooking?"
   - Creative Perspective: Seek hidden patterns or possibilities that could reveal deeper insights or innovative connections.

   *2.2 Analyze the Information:*
   - Objective: Break down the problem logically.
   - Reflection: "Am I considering all factors? Are there any assumptions that need challenging?"
   - Creative Perspective: Explore unique patterns or overlooked relationships in the data that could add depth to the analysis.

   *2.3 Generate Hypotheses:*
   - Objective: Propose at least 10 hypotheses, each with a Confidence Score (0.0 to 1.0) and Creative Score (0.0 to 1.0), reflecting originality, surprise, and utility.
   - Reflection: "Have I explored all possible explanations or approaches, both conventional and unconventional?"
   - Creative Perspective: Consider novel angles that might provide unexpected insights.

   *2.4 Anticipate Future Steps and Obstacles:*
   - Objective: Make predictions, accounting for potential outcomes and obstacles.
   - Reflection: "What challenges might I face? Is my plan flexible for different scenarios?"
   - Creative Perspective: Visualize unforeseen outcomes and adapt plans to make use of them effectively.

   *2.5 Evaluate Hypotheses:*
   - Objective: Assess hypotheses based on feasibility, risk, and potential impact.
   - Evaluation: Refine Confidence and Creative Scores as needed.
   - Reflection: "Am I unbiased in my assessment? Which options fit best with the overall objectives?"
   - Creative Perspective: Identify hidden opportunities or overlooked details in each hypothesis.

   *2.6 Select the Best Hypothesis:*
   - Objective: Choose the most promising, strategic hypothesis.
   - Reflection: "Why does this hypothesis stand out? How does it uniquely address the issue?"
   - Creative Perspective: Consider any underutilized potential in the selected approach.

   *2.7 Implement the Hypothesis:*
   - Objective: Outline actionable steps for testing the hypothesis.
   - Reflection: "Is this plan practical? What resources or preparation are required?"
   - Creative Perspective: Refine steps to maximize effectiveness and yield unexpected benefits.

   *2.8 Monitor and Review Progress:*
   - Objective: Review progress, noting areas for improvement.
   - Reflection: "What’s working well? What could be improved?"
   - Creative Perspective: Look for emerging patterns that could refine future approaches.

   *2.9 Reflect and Capture Insights:*
   - Objective: Summarize lessons learned and insights gained for future reference.
   - Reflection: "What new understanding has emerged from this process?"
   - Creative Perspective: Identify innovative insights or patterns that could be applied to similar challenges.

3. *Generate Text Output with Interleaved System 1 and System 2 Responses:*
   - Use the tags [sys1] and [sys2] throughout.
   - Aim for a lengthier, detailed response. Combine both direct, straightforward *System 1* insights and reflective, deeply analytical *System 2* segments to capture a blend of quick observations and thoughtful analysis.

---

### *Example Input Text:*

You are tasked with analyzing a sudden shift in customer preferences in a tech market. There has been a noticeable decline in demand for physical devices, with customers increasingly interested in digital-only options. The challenge is to understand this shift, generate hypotheses for why it might be occurring, and explore potential strategies for adapting to this new trend.

---

### *Processed Output with System 1 and System 2 Thinking:*

The tech market is experiencing a shift in customer demand, moving away from physical devices toward digital-only options.

[sys1]
Customer demand has shifted from physical devices to digital-only options.
We need to understand why this change is happening and find strategies to address it.
Key factors may include cost, convenience, and technological trends.
[end sys1]

[sys2]
**2.1 Understand the Problem:**
The goal is to understand the underlying reasons for the shift in demand from physical devices to digital-only options, then develop a strategy to adapt.

*Reflection:* 
"I understand that preferences are changing, but what might be driving this? Is it primarily cost, or are there other factors such as convenience or sustainability?"

*Creative Perspective:* 
"Could there be a larger trend in digital minimalism or a preference for eco-friendly solutions that we’re missing? What unseen motivations might explain this shift?"

**2.2 Analyze the Information:**
There are multiple possible factors driving this shift, from economic influences to cultural shifts. It’s essential to isolate each factor and understand its impact.

*Reflection:* 
"Am I fully considering the various economic and social influences? Could there be a technological factor, like better internet speeds, that makes digital-only products more accessible?"

*Creative Perspective:* 
"Are there patterns or trends in other markets that could shed light on this shift? Could this be part of a larger trend toward virtual experiences?"

**2.3 Generate Hypotheses:**
1. Customers prefer digital options due to lower costs. (Confidence: 0.8, Creative: 0.4)
2. There’s a growing trend toward minimalism and reduced physical clutter. (Confidence: 0.7, Creative: 0.7)
3. Digital products offer greater flexibility and ease of use. (Confidence: 0.6, Creative: 0.6)
4. Environmental concerns are pushing consumers away from physical goods. (Confidence: 0.6, Creative: 0.8)
5. Advances in tech make digital-only options more functional. (Confidence: 0.8, Creative: 0.5)
6. Pandemic-era remote work increased demand for digital solutions. (Confidence: 0.7, Creative: 0.6)
7. Media coverage of the environmental impact of physical devices affects preferences. (Confidence: 0.5, Creative: 0.7)
8. There’s an increase in global digital literacy, expanding market access. (Confidence: 0.6, Creative: 0.6)
9. Customers view digital as more convenient and scalable for future needs. (Confidence: 0.7, Creative: 0.5)
10. Younger consumers prefer the aesthetics and convenience of digital products. (Confidence: 0.6, Creative: 0.6)

*Reflection:* 
"Have I considered all possible influences? Are there any surprising factors that could explain this shift?"

*Creative Perspective:* 
"Could specific social trends, like the rise of influencer culture or digital-first lifestyles, be influencing customer choices?"

**2.4 Anticipate Future Steps and Obstacles:**
*Objective:* Anticipate possible challenges, such as resistance from segments still preferring physical products.

*Reflection:* 
"What market obstacles might we face if we shift our focus to digital-only? Are there sub-segments that still prioritize physical products?"

*Creative Perspective:* 
"Could expanding digital options help us reach a more global audience? Are there emerging trends that we could leverage in our strategy?"

[end sys2]

[sys1]
To address this shift, consider a strategy that incorporates both digital-only offerings and educational campaigns about the benefits of digital solutions.
Use insights from customer feedback and current trends to guide product development.
Focus on flexibility and adaptation to cater to different customer segments.
[end sys1]


Related literature   {#sec1}
====================

For background to this work, see: Wang *et al.* (2009[@bb8]); Puodziukynaite *et al.* (2014[@bb5]); Xia *et al.* (2014[@bb9]). For the synthesis and related structures, see: Förster *et al.* (2012[@bb3], 2014[@bb4]).

Experimental   {#sec2}
==============

Crystal data   {#sec2.1}
--------------

C~30~H~20~O~2~S~2~*M* *~r~* = 476.58Monoclinic,*a* = 13.7674 (3) Å*b* = 8.9849 (2) Å*c* = 19.7586 (4) Åβ = 104.022 (1)°*V* = 2371.28 (9) Å^3^*Z* = 4Mo *K*α radiationμ = 0.25 mm^−1^*T* = 100 K0.24 × 0.23 × 0.15 mm

Data collection   {#sec2.2}
-----------------

Bruker Kappa APEX CCD diffractometerAbsorption correction: multi-scan (*SADABS*; Bruker, 2008[@bb1]) *T* ~min~ = 0.942, *T* ~max~ = 0.96336340 measured reflections5898 independent reflections4422 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.039

Refinement   {#sec2.3}
------------

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.046*wR*(*F* ^2^) = 0.130*S* = 1.035898 reflections309 parametersH-atom parameters constrainedΔρ~max~ = 0.44 e Å^−3^Δρ~min~ = −0.27 e Å^−3^

 {#d5e454}

Data collection: *APEX2* (Bruker AXS); cell refinement: *SAINT* (Sheldrick, 2008[@bb6]); data reduction: *SAINT*; program(s) used to solve structure: *SHELXS97* (Sheldrick, 2008[@bb6]); program(s) used to refine structure: *SHELXL2015* (Sheldrick, 2015[@bb7]); molecular graphics: *ORTEP-3 for Windows* (Farrugia, 2012[@bb2]); software used to prepare material for publication: *SHELXTL* (Sheldrick, 2008[@bb6]).

Supplementary Material
======================

Crystal structure: contains datablock(s) I, publication_text. DOI: [10.1107/S2056989016000323/hb7546sup1.cif](http://dx.doi.org/10.1107/S2056989016000323/hb7546sup1.cif)

Structure factors: contains datablock(s) I. DOI: [10.1107/S2056989016000323/hb7546Isup2.hkl](http://dx.doi.org/10.1107/S2056989016000323/hb7546Isup2.hkl)

###### 

Click here for additional data file.

Supporting information file. DOI: [10.1107/S2056989016000323/hb7546Isup3.cml](http://dx.doi.org/10.1107/S2056989016000323/hb7546Isup3.cml)

###### 

Click here for additional data file.

. DOI: [10.1107/S2056989016000323/hb7546fig1.tif](http://dx.doi.org/10.1107/S2056989016000323/hb7546fig1.tif)

Ellipsoid plot.

###### 

Click here for additional data file.

. DOI: [10.1107/S2056989016000323/hb7546fig2.tif](http://dx.doi.org/10.1107/S2056989016000323/hb7546fig2.tif)

Packing diagram.

CCDC reference: [1445850](http://scripts.iucr.org/cgi-bin/cr.cgi?rm=csd&csdid=1445850)

Additional supporting information: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?hb7546&file=hb7546sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?hb7546sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?hb7546&checkcif=yes)

Supporting information for this paper is available from the IUCr electronic archives (Reference: [HB7546](http://scripts.iucr.org/cgi-bin/sendsup?hb7546)).

This work has been performed within the 'Cluster of Excellence Structure Design of Novel High-Performance Materials *via* Atomic Design and Defect Engineering′ (ADDE), which was supported financially by the European Union (European Regional Development Fund) and by the Ministry of Science and Art of Saxony (SMWK).

S1. Comment {#d1e22}
===========

Azulene derivatives offer a number of inter­esting applications especially in the field of molecular electronics (Wang *et al.*, 2009; Puodziukynaite *et al.*, 2014). It ties up with the fact that the non-alternating azulene possesses remarkable electronic and optical properties (Xia *et al.*, 2014). Although the title compound, C~30~H~20~O~2~S~2~, (I), is fully conjugated, no flat molecular structure can be observed. Both phenyl rings, fig 1, are rotated out of the plane containing the azulene core \[*phenyl*(C13---C18) 29.0°, *phenyl*(C23---C28) 55.2°\]. The C---S---C angle of the acetyl protected thiol is slightly smaller compared to that found in an analogous compound,1,3-bis­\[4-(*tert*-butyl­sulfanyl)phenyl­ethynyl\]azulene, featuring a *tert*-butyl protection group at the sulfur atom (Förster *et al.*, 2012). Unlike the previous case, no π···π inter­actions are present in the title compound. In all probability, this uncommon phenomenon within the substance class of azulenes (Förster *et al.*, 2014) is related to the non-planar molecular structure and may be caused from packing effects. However, the crystal structure is based on C---H···O hydrogen bonds \[C2----H2···O1 (2.5-x, -0.5+y, 1.5-z; 2.40 Å, 155.0°)\] and C---H···π inter­actions \[C17---H17···Cg(1) 2.69 Å, 164.9°; C20---H20A···Cg(2) 2.89 Å, 159.0°\].

S2. Experimental {#d1e86}
================

S2.1. Synthesis and crystallization {#d1e99}
===================================

The synthesis of the title compound, (I), has already been described (Förster *et al.* 2012). The crystals were grown from toluene solution by slow evaporation.

S2.2. Refinement {#d1e116}
================

Crystal data, data collection and structure refinement details are summarized in Table 1. The hydrogen atoms attached to C were fixed geometrically and treated as riding atoms, with d(C---H) = 0.93 and Uiso(H) = 1.2 Ueq(C) for aromatic and Uiso(H) = 1.5Ueq(C) for methyl groups.

Figures
=======

![Ellipsoid plot.](e-71-o1099-fig1){#Fap1}

![Packing diagram.](e-71-o1099-fig2){#Fap2}

Crystal data {#tablewrapcrystaldatalong}
============

  ------------------------- ---------------------------------------
  C~30~H~20~O~2~S~2~        *F*(000) = 992
  *M~r~* = 476.58           *D*~x~ = 1.335 Mg m^−3^
  Monoclinic, *P*2~1~/*n*   Mo *K*α radiation, λ = 0.71073 Å
  *a* = 13.7674 (3) Å       Cell parameters from 8057 reflections
  *b* = 8.9849 (2) Å        θ = 2.5--28.0°
  *c* = 19.7586 (4) Å       µ = 0.25 mm^−1^
  β = 104.022 (1)°          *T* = 100 K
  *V* = 2371.28 (9) Å^3^    Irregular, green
  *Z* = 4                   0.24 × 0.23 × 0.15 mm
  ------------------------- ---------------------------------------

Data collection {#tablewrapdatacollectionlong}
===============

  ------------------------------------------------------------ --------------------------------------
  Bruker Kappa APEX CCD diffractometer                         4422 reflections with *I* \> 2σ(*I*)
  phi and ω scans                                              *R*~int~ = 0.039
  Absorption correction: multi-scan (*SADABS*; Bruker, 2008)   θ~max~ = 28.3°, θ~min~ = 2.5°
  *T*~min~ = 0.942, *T*~max~ = 0.963                           *h* = −18→18
  36340 measured reflections                                   *k* = −12→11
  5898 independent reflections                                 *l* = −26→26
  ------------------------------------------------------------ --------------------------------------

Refinement {#tablewraprefinementdatalong}
==========

  ------------------------------------- ------------------------------------------------------------------------------------------------
  Refinement on *F*^2^                  0 restraints
  Least-squares matrix: full            Hydrogen site location: inferred from neighbouring sites
  *R*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.046   H-atom parameters constrained
  *wR*(*F*^2^) = 0.130                  *w* = 1/\[σ^2^(*F*~o~^2^) + (0.0658*P*)^2^ + 1.347*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  *S* = 1.03                            (Δ/σ)~max~ = 0.001
  5898 reflections                      Δρ~max~ = 0.44 e Å^−3^
  309 parameters                        Δρ~min~ = −0.27 e Å^−3^
  ------------------------------------- ------------------------------------------------------------------------------------------------

Special details {#specialdetails}
===============

  ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  Geometry. All e.s.d.\'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.\'s are taken into account individually in the estimation of e.s.d.\'s in distances, angles and torsion angles; correlations between e.s.d.\'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.\'s is used for estimating e.s.d.\'s involving l.s. planes.
  ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å^2^) {#tablewrapcoords}
==================================================================================================

  ------ -------------- --------------- -------------- -------------------- --
         *x*            *y*             *z*            *U*~iso~\*/*U*~eq~   
  S1     1.37569 (4)    0.11544 (6)     0.58441 (3)    0.03405 (15)         
  S2     0.55913 (4)    −0.42293 (6)    1.10153 (3)    0.03144 (14)         
  O1     1.43557 (12)   0.39449 (19)    0.60090 (9)    0.0418 (4)           
  O2     0.52513 (12)   −0.17076 (16)   1.16136 (8)    0.0361 (4)           
  C1     0.93413 (13)   0.2985 (2)      0.81129 (9)    0.0229 (4)           
  C2     0.91025 (14)   0.1731 (2)      0.84616 (10)   0.0248 (4)           
  H2     0.9425         0.0791          0.8485         0.030\*              
  C3     0.83172 (14)   0.2075 (2)      0.87699 (10)   0.0235 (4)           
  C4     0.80547 (13)   0.3585 (2)      0.86356 (9)    0.0224 (4)           
  C5     0.73471 (14)   0.4346 (2)      0.88954 (10)   0.0258 (4)           
  H5     0.7021         0.3782          0.9182         0.031\*              
  C6     0.70505 (15)   0.5828 (2)      0.87924 (11)   0.0286 (4)           
  H6     0.6574         0.6156          0.9036         0.034\*              
  C7     0.73635 (14)   0.6887 (2)      0.83792 (10)   0.0281 (4)           
  H7     0.7048         0.7831          0.8366         0.034\*              
  C8     0.80679 (15)   0.6777 (2)      0.79820 (10)   0.0279 (4)           
  H8     0.8147         0.7643          0.7725         0.033\*              
  C9     0.86748 (14)   0.5575 (2)      0.79079 (10)   0.0244 (4)           
  H9     0.9129         0.5744          0.7623         0.029\*              
  C10    0.86986 (13)   0.4173 (2)      0.81964 (9)    0.0217 (4)           
  C11    1.01077 (14)   0.2995 (2)      0.77358 (10)   0.0235 (4)           
  C12    1.07506 (14)   0.2876 (2)      0.74377 (10)   0.0252 (4)           
  C13    1.15323 (13)   0.2606 (2)      0.70827 (10)   0.0222 (4)           
  C14    1.15694 (14)   0.3358 (2)      0.64730 (10)   0.0261 (4)           
  H14    1.1120         0.4155          0.6312         0.031\*              
  C15    1.22577 (14)   0.2948 (2)      0.61000 (10)   0.0272 (4)           
  H15    1.2263         0.3440          0.5675         0.033\*              
  C16    1.29404 (13)   0.1821 (2)      0.63447 (10)   0.0242 (4)           
  C17    1.29573 (14)   0.1142 (2)      0.69783 (10)   0.0270 (4)           
  H17    1.3454         0.0420          0.7163         0.032\*              
  C18    1.22522 (14)   0.1517 (2)      0.73400 (10)   0.0269 (4)           
  H18    1.2256         0.1031          0.7768         0.032\*              
  C19    1.44675 (15)   0.2760 (3)      0.57564 (11)   0.0328 (5)           
  C20    1.52157 (17)   0.2459 (3)      0.53316 (12)   0.0483 (7)           
  H20A   1.4865         0.2112          0.4866         0.072\*              
  H20B   1.5688         0.1692          0.5562         0.072\*              
  H20C   1.5582         0.3375          0.5289         0.072\*              
  C21    0.78423 (15)   0.1054 (2)      0.91530 (9)    0.0243 (4)           
  C22    0.74797 (15)   0.0199 (2)      0.94649 (10)   0.0275 (4)           
  C23    0.70236 (14)   −0.0862 (2)     0.98362 (10)   0.0246 (4)           
  C24    0.76034 (15)   −0.1665 (2)     1.03950 (10)   0.0284 (4)           
  H24    0.8306         −0.1504         1.0535         0.034\*              
  C25    0.71595 (15)   −0.2691 (2)     1.07442 (11)   0.0289 (4)           
  H25    0.7557         −0.3248         1.1119         0.035\*              
  C26    0.61271 (15)   −0.2908 (2)     1.05464 (10)   0.0268 (4)           
  C27    0.55486 (15)   −0.2111 (2)     1.00026 (11)   0.0318 (5)           
  H27    0.4845         −0.2261         0.9870         0.038\*              
  C28    0.59931 (15)   −0.1085 (2)     0.96468 (11)   0.0308 (4)           
  H28    0.5592         −0.0532         0.9272         0.037\*              
  C29    0.52713 (14)   −0.3041 (2)     1.16535 (10)   0.0261 (4)           
  C30    0.50479 (17)   −0.3905 (2)     1.22472 (11)   0.0341 (5)           
  H30A   0.5636         −0.3895         1.2643         0.051\*              
  H30B   0.4883         −0.4935         1.2100         0.051\*              
  H30C   0.4479         −0.3451         1.2387         0.051\*              
  ------ -------------- --------------- -------------- -------------------- --

Atomic displacement parameters (Å^2^) {#tablewrapadps}
=====================================

  ----- ------------- ------------- ------------- -------------- ------------ -------------
        *U*^11^       *U*^22^       *U*^33^       *U*^12^        *U*^13^      *U*^23^
  S1    0.0321 (3)    0.0331 (3)    0.0435 (3)    0.0021 (2)     0.0220 (2)   −0.0023 (2)
  S2    0.0425 (3)    0.0203 (2)    0.0379 (3)    −0.0023 (2)    0.0221 (2)   0.0025 (2)
  O1    0.0341 (8)    0.0477 (10)   0.0446 (9)    −0.0138 (7)    0.0117 (7)   −0.0013 (8)
  O2    0.0478 (9)    0.0248 (8)    0.0381 (8)    0.0010 (7)     0.0152 (7)   0.0001 (6)
  C1    0.0234 (9)    0.0222 (9)    0.0244 (9)    −0.0025 (7)    0.0085 (7)   −0.0004 (7)
  C2    0.0276 (9)    0.0225 (9)    0.0260 (9)    −0.0003 (7)    0.0097 (7)   −0.0001 (8)
  C3    0.0246 (9)    0.0238 (9)    0.0233 (9)    −0.0034 (7)    0.0083 (7)   0.0004 (7)
  C4    0.0224 (8)    0.0239 (9)    0.0217 (9)    −0.0023 (7)    0.0069 (7)   −0.0007 (7)
  C5    0.0232 (9)    0.0301 (10)   0.0266 (9)    −0.0025 (8)    0.0108 (7)   −0.0010 (8)
  C6    0.0259 (9)    0.0312 (11)   0.0309 (10)   0.0015 (8)     0.0114 (8)   −0.0043 (8)
  C7    0.0273 (9)    0.0266 (10)   0.0293 (10)   0.0039 (8)     0.0048 (8)   −0.0027 (8)
  C8    0.0314 (10)   0.0241 (10)   0.0277 (10)   0.0006 (8)     0.0062 (8)   0.0041 (8)
  C9    0.0259 (9)    0.0261 (10)   0.0224 (9)    −0.0024 (7)    0.0082 (7)   0.0002 (7)
  C10   0.0208 (8)    0.0237 (9)    0.0213 (8)    −0.0023 (7)    0.0067 (7)   −0.0012 (7)
  C11   0.0265 (9)    0.0180 (9)    0.0269 (9)    −0.0045 (7)    0.0083 (7)   −0.0018 (7)
  C12   0.0272 (9)    0.0179 (9)    0.0309 (10)   −0.0011 (7)    0.0078 (8)   −0.0020 (7)
  C13   0.0222 (8)    0.0193 (9)    0.0267 (9)    −0.0021 (7)    0.0093 (7)   −0.0034 (7)
  C14   0.0234 (9)    0.0230 (10)   0.0331 (10)   0.0033 (7)     0.0093 (8)   0.0033 (8)
  C15   0.0283 (9)    0.0271 (10)   0.0284 (10)   0.0010 (8)     0.0111 (8)   0.0059 (8)
  C16   0.0217 (8)    0.0241 (10)   0.0293 (9)    −0.0010 (7)    0.0113 (7)   −0.0016 (8)
  C17   0.0244 (9)    0.0240 (10)   0.0335 (10)   0.0033 (7)     0.0085 (8)   0.0027 (8)
  C18   0.0293 (10)   0.0256 (10)   0.0279 (10)   0.0009 (8)     0.0108 (8)   0.0023 (8)
  C19   0.0232 (9)    0.0482 (14)   0.0265 (10)   −0.0047 (9)    0.0051 (8)   0.0029 (9)
  C20   0.0271 (11)   0.084 (2)     0.0374 (12)   −0.0038 (12)   0.0152 (9)   0.0081 (13)
  C21   0.0329 (10)   0.0213 (9)    0.0204 (9)    0.0035 (8)     0.0095 (7)   −0.0006 (7)
  C22   0.0301 (10)   0.0246 (10)   0.0304 (10)   0.0002 (8)     0.0126 (8)   −0.0050 (8)
  C23   0.0321 (10)   0.0181 (9)    0.0284 (9)    −0.0015 (7)    0.0169 (8)   −0.0030 (7)
  C24   0.0273 (9)    0.0285 (10)   0.0318 (10)   −0.0006 (8)    0.0115 (8)   0.0010 (8)
  C25   0.0325 (10)   0.0262 (10)   0.0304 (10)   0.0028 (8)     0.0124 (8)   0.0046 (8)
  C26   0.0357 (10)   0.0184 (9)    0.0314 (10)   −0.0013 (8)    0.0181 (8)   0.0002 (8)
  C27   0.0253 (9)    0.0294 (11)   0.0424 (12)   −0.0021 (8)    0.0117 (8)   0.0057 (9)
  C28   0.0309 (10)   0.0271 (10)   0.0358 (11)   0.0019 (8)     0.0110 (8)   0.0096 (9)
  C29   0.0248 (9)    0.0233 (10)   0.0311 (10)   −0.0001 (7)    0.0085 (8)   0.0012 (8)
  C30   0.0416 (12)   0.0305 (11)   0.0355 (11)   0.0012 (9)     0.0195 (9)   0.0028 (9)
  ----- ------------- ------------- ------------- -------------- ------------ -------------

Geometric parameters (Å, º) {#tablewrapgeomlong}
===========================

  ----------------------- -------------- ----------------------- --------------
  S1---C16                1.7716 (19)    C14---C15               1.384 (3)
  S1---C19                1.775 (2)      C14---H14               0.9500
  S2---C26                1.7727 (19)    C15---C16               1.387 (3)
  S2---C29                1.787 (2)      C15---H15               0.9500
  O1---C19                1.201 (3)      C16---C17               1.387 (3)
  O2---C29                1.201 (2)      C17---C18               1.380 (3)
  C1---C2                 1.401 (3)      C17---H17               0.9500
  C1---C10                1.421 (3)      C18---H18               0.9500
  C1---C11                1.432 (2)      C19---C20               1.503 (3)
  C2---C3                 1.398 (3)      C20---H20A              0.9800
  C2---H2                 0.9500         C20---H20B              0.9800
  C3---C4                 1.413 (3)      C20---H20C              0.9800
  C3---C21                1.443 (3)      C21---C22               1.170 (3)
  C4---C5                 1.386 (3)      C22---C23               1.437 (3)
  C4---C10                1.480 (2)      C23---C28               1.391 (3)
  C5---C6                 1.393 (3)      C23---C24               1.396 (3)
  C5---H5                 0.9500         C24---C25               1.380 (3)
  C6---C7                 1.388 (3)      C24---H24               0.9500
  C6---H6                 0.9500         C25---C26               1.394 (3)
  C7---C8                 1.391 (3)      C25---H25               0.9500
  C7---H7                 0.9500         C26---C27               1.374 (3)
  C8---C9                 1.394 (3)      C27---C28               1.388 (3)
  C8---H8                 0.9500         C27---H27               0.9500
  C9---C10                1.380 (3)      C28---H28               0.9500
  C9---H9                 0.9500         C29---C30               1.500 (3)
  C11---C12               1.181 (3)      C30---H30A              0.9800
  C12---C13               1.440 (3)      C30---H30B              0.9800
  C13---C14               1.393 (3)      C30---H30C              0.9800
  C13---C18               1.398 (3)                              
                                                                 
  C16---S1---C19          102.66 (10)    C17---C16---S1          118.76 (15)
  C26---S2---C29          100.01 (9)     C18---C17---C16         120.01 (18)
  C2---C1---C10           108.67 (16)    C18---C17---H17         120.0
  C2---C1---C11           123.48 (17)    C16---C17---H17         120.0
  C10---C1---C11          127.85 (17)    C17---C18---C13         120.56 (18)
  C3---C2---C1            109.57 (17)    C17---C18---H18         119.7
  C3---C2---H2            125.2          C13---C18---H18         119.7
  C1---C2---H2            125.2          O1---C19---C20          124.5 (2)
  C2---C3---C4            108.68 (16)    O1---C19---S1           123.40 (16)
  C2---C3---C21           125.77 (18)    C20---C19---S1          112.13 (18)
  C4---C3---C21           125.55 (17)    C19---C20---H20A        109.5
  C5---C4---C3            125.09 (17)    C19---C20---H20B        109.5
  C5---C4---C10           128.00 (18)    H20A---C20---H20B       109.5
  C3---C4---C10           106.88 (16)    C19---C20---H20C        109.5
  C4---C5---C6            128.65 (18)    H20A---C20---H20C       109.5
  C4---C5---H5            115.7          H20B---C20---H20C       109.5
  C6---C5---H5            115.7          C22---C21---C3          178.1 (2)
  C7---C6---C5            128.24 (18)    C21---C22---C23         178.9 (2)
  C7---C6---H6            115.9          C28---C23---C24         119.25 (17)
  C5---C6---H6            115.9          C28---C23---C22         120.10 (18)
  C6---C7---C8            129.88 (19)    C24---C23---C22         120.64 (18)
  C6---C7---H7            115.1          C25---C24---C23         120.20 (18)
  C8---C7---H7            115.1          C25---C24---H24         119.9
  C7---C8---C9            129.18 (19)    C23---C24---H24         119.9
  C7---C8---H8            115.4          C24---C25---C26         119.92 (19)
  C9---C8---H8            115.4          C24---C25---H25         120.0
  C10---C9---C8           128.20 (18)    C26---C25---H25         120.0
  C10---C9---H9           115.9          C27---C26---C25         120.30 (18)
  C8---C9---H9            115.9          C27---C26---S2          121.48 (15)
  C9---C10---C1           126.22 (17)    C25---C26---S2          118.21 (15)
  C9---C10---C4           127.60 (17)    C26---C27---C28         119.96 (19)
  C1---C10---C4           106.17 (16)    C26---C27---H27         120.0
  C12---C11---C1          174.3 (2)      C28---C27---H27         120.0
  C11---C12---C13         175.5 (2)      C27---C28---C23         120.36 (19)
  C14---C13---C18         118.85 (17)    C27---C28---H28         119.8
  C14---C13---C12         121.86 (17)    C23---C28---H28         119.8
  C18---C13---C12         119.23 (17)    O2---C29---C30          124.21 (19)
  C15---C14---C13         120.34 (18)    O2---C29---S2           123.75 (16)
  C15---C14---H14         119.8          C30---C29---S2          112.03 (14)
  C13---C14---H14         119.8          C29---C30---H30A        109.5
  C14---C15---C16         120.16 (17)    C29---C30---H30B        109.5
  C14---C15---H15         119.9          H30A---C30---H30B       109.5
  C16---C15---H15         119.9          C29---C30---H30C        109.5
  C15---C16---C17         119.82 (17)    H30A---C30---H30C       109.5
  C15---C16---S1          121.35 (15)    H30B---C30---H30C       109.5
                                                                 
  C10---C1---C2---C3      0.1 (2)        C13---C14---C15---C16   −2.4 (3)
  C11---C1---C2---C3      −179.26 (17)   C14---C15---C16---C17   −2.5 (3)
  C1---C2---C3---C4       −1.4 (2)       C14---C15---C16---S1    174.31 (15)
  C1---C2---C3---C21      177.71 (18)    C19---S1---C16---C15    61.42 (18)
  C2---C3---C4---C5       −175.89 (18)   C19---S1---C16---C17    −121.78 (17)
  C21---C3---C4---C5      5.0 (3)        C15---C16---C17---C18   4.4 (3)
  C2---C3---C4---C10      2.2 (2)        S1---C16---C17---C18    −172.40 (15)
  C21---C3---C4---C10     −176.99 (17)   C16---C17---C18---C13   −1.6 (3)
  C3---C4---C5---C6       179.6 (2)      C14---C13---C18---C17   −3.1 (3)
  C10---C4---C5---C6      1.9 (3)        C12---C13---C18---C17   174.31 (18)
  C4---C5---C6---C7       3.0 (4)        C16---S1---C19---O1     0.8 (2)
  C5---C6---C7---C8       −2.4 (4)       C16---S1---C19---C20    −179.13 (15)
  C6---C7---C8---C9       −2.1 (4)       C28---C23---C24---C25   1.4 (3)
  C7---C8---C9---C10      2.4 (4)        C22---C23---C24---C25   −179.43 (18)
  C8---C9---C10---C1      −179.16 (19)   C23---C24---C25---C26   −1.1 (3)
  C8---C9---C10---C4      2.5 (3)        C24---C25---C26---C27   0.3 (3)
  C2---C1---C10---C9      −177.39 (18)   C24---C25---C26---S2    −179.55 (15)
  C11---C1---C10---C9     1.9 (3)        C29---S2---C26---C27    −86.86 (18)
  C2---C1---C10---C4      1.2 (2)        C29---S2---C26---C25    92.98 (17)
  C11---C1---C10---C4     −179.46 (18)   C25---C26---C27---C28   0.1 (3)
  C5---C4---C10---C9      −5.5 (3)       S2---C26---C27---C28    179.98 (16)
  C3---C4---C10---C9      176.53 (18)    C26---C27---C28---C23   0.2 (3)
  C5---C4---C10---C1      175.89 (19)    C24---C23---C28---C27   −1.0 (3)
  C3---C4---C10---C1      −2.1 (2)       C22---C23---C28---C27   179.86 (19)
  C18---C13---C14---C15   5.1 (3)        C26---S2---C29---O2     14.4 (2)
  C12---C13---C14---C15   −172.25 (18)   C26---S2---C29---C30    −164.72 (15)
  ----------------------- -------------- ----------------------- --------------

Hydrogen-bond geometry (Å, º) {#tablewraphbondslong}
=============================

Cg1 is the mid-point of C11---C12 and Cg2 is the centroid of the C1--C4/C10 ring.

  -------------------------- --------- --------- ----------- ---------------
  *D*---H···*A*              *D*---H   H···*A*   *D*···*A*   *D*---H···*A*
  C2---H2···O1^i^            0.95      2.40      3.285 (3)   155
  C17---H1···*Cg*1           0.95      2.69      3.612 (3)   165
  C20---H20*A*···*Cg*2^ii^   0.98      2.89      3.835 (2)   162
  -------------------------- --------- --------- ----------- ---------------

Symmetry codes: (i) −*x*+5/2, *y*−1/2, −*z*+3/2; (ii) *x*+1/2, −*y*+1/2, *z*−1/2.

###### Hydrogen-bond geometry (Å, °)

*Cg*1 is the mid-point of the C11---C12 bond and *Cg*2 is the centroid of the C1--C4/C10 ring.

  *D*---H⋯*A*              *D*---H   H⋯*A*   *D*⋯*A*     *D*---H⋯*A*
  ------------------------ --------- ------- ----------- -------------
  C2---H2⋯O1^i^            0.95      2.40    3.285 (3)   155
  C17---H1⋯*Cg*1           0.95      2.69    3.612 (3)   165
  C20---H20*A*⋯*Cg*2^ii^   0.98      2.89    3.835 (2)   162

Symmetry code: (i) ; (ii) .