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 related structures, see: Henschel *et al.* (1999[@bb1]); Trueblood *et al.* (1982[@bb4]). For the possible relationship of the title compound to mol­ecular ferroelectrics, see: Wu *et al.* (2011[@bb5]).

Experimental {#sec2}
============

 {#sec2.1}

### Crystal data {#sec2.1.1}

CH~6~N^+^·BF~4~ ^−^·C~12~H~24~O~6~*M* *~r~* = 383.19Monoclinic,*a* = 24.375 (5) Å*b* = 8.5404 (17) Å*c* = 21.345 (4) Åβ = 116.90 (3)°*V* = 3962.7 (14) Å^3^*Z* = 8Mo *K*α radiationμ = 0.12 mm^−1^*T* = 293 K0.3 × 0.3 × 0.2 mm

### Data collection {#sec2.1.2}

Rigaku Mercury CCD diffractometerAbsorption correction: multi-scan (*CrystalClear*; Rigaku, 2005[@bb2]) *T* ~min~ = 0.489, *T* ~max~ = 1.00019676 measured reflections4519 independent reflections2155 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.061

### Refinement {#sec2.1.3}

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.073*wR*(*F* ^2^) = 0.226*S* = 1.034519 reflections265 parametersH-atom parameters constrainedΔρ~max~ = 0.25 e Å^−3^Δρ~min~ = −0.19 e Å^−3^

 {#d5e532}

Data collection: *CrystalClear* (Rigaku, 2005[@bb2]); cell refinement: *CrystalClear*; data reduction: *CrystalClear*; program(s) used to solve structure: *SHELXS97* (Sheldrick, 2008[@bb3]); program(s) used to refine structure: *SHELXL97* (Sheldrick, 2008[@bb3]); molecular graphics: *SHELXTL* (Sheldrick, 2008[@bb3]); software used to prepare material for publication: *SHELXL97*.

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

Crystal structure: contains datablock(s) I, global. DOI: [10.1107/S1600536811054432/hb6552sup1.cif](http://dx.doi.org/10.1107/S1600536811054432/hb6552sup1.cif)

Structure factors: contains datablock(s) I. DOI: [10.1107/S1600536811054432/hb6552Isup2.hkl](http://dx.doi.org/10.1107/S1600536811054432/hb6552Isup2.hkl)

Additional supplementary materials: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?hb6552&file=hb6552sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?hb6552sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?hb6552&checkcif=yes)

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: [HB6552](http://scripts.iucr.org/cgi-bin/sendsup?hb6552)).

The author thanks Southeast University for support.

Comment
=======

Molecular motion has proved to cause a rotation of the local structure to give rise to the formation of reversible structural phase transition from high-temperature disordered state to low temperature ordered state. Only a small part of compounds in which the components can be arranged in a disordered status at a relative high temperature and in an ordered one at a relative low temperature have been found until now. The transition from the disordered arrangement to the ordered one results in sharp change in the physical properties of compounds (e.g. Wu *et al.*, 2011). The protonated CH~3~---NH~3~^+^ cation can be easily anchored in the cavity of 18-crown-6, as a result of strong N---H···O hydrogen-bonding interactions. In the protonated CH~3~---NH~3~^+^, --NH~3~^+^ can be fixed firmly by 18-crown-6 which is an excellent molecular-based stator *via* N---H···O hydrogen-bonding interactions forming a stationary axis along which the rest of CH~3~---NH~3~^+^ cation can rotate freely. The introduction of a disordered group in the compounds results in the potential for the order-disorder transition due to the fact that the freezing of a disordered group at low temperature forces significant orientational motions of the group and thus may induce the formation of the ferroelectric phase. As part of our search for simple ferroelectric compounds we have investigated the title compound and reported its room temperature structure.

In this crystal structure, the nitrogen of the --NH~3~^+^ group lies 1.043 Å from the plane of the O atoms of the crown ring, in contrast to the analogous complex (Henschel *et al.*, 1999) and analogous perchlorate hemihytrate (Trueblood *et al.*, 1982), where the corresponding distance is 0.981 Å and 0.68 Å individually.

The anion and one cation are shown in Fig. 1 with the hydrogen bonds listed in Table 1. The existence of N---H···O hydrogen-bonding interactions and weak C---H···F interactions helps to make the substance more stable, and thus forms a three-dimensional structure. The components are held together by N---H···O hydrogen bonds and weak C---H···F interactions, forming a 1:1:1 aggregate. The aggregates are further connected by weak C---H···F interactions, and thus forms a complex spatial geometry.

Experimental {#experimental}
============

(C~12~H~24~O~6~.CH~3~NH~3~^+^).(BF^-^~4~) was formed from a mixture of C~12~H~24~O~6~ (264.32 mg, 1.00 mmol), CH~3~NH~2~ (8 mL, 40% aqueous solution), tetrafluoridoborate (10 mL, 48% aqueous solution) and distilled water (5 ml), which was stirred a few minutes at room temperature, giving a clear transparent solution. After evaporation for a few days, block colorless crystals suitable for X-ray diffraction were obtained in about 60% yield and filtered and washed with distilled water.

Refinement {#refinement}
==========

H atoms bound to carbon and nitrogen were placed at idealized positions \[C---H = 0.96--0.97 Å, N---H = 0.89 Å\] and allowed to ride on their parent atoms with *U*~iso~ fixed at 1.2 *U*~eq~(C,*N*).

Figures
=======

![Molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level.](e-68-0o225-fig1){#Fap1}

![Crystal structure of the title compound with view along the c axis. Intermolecular interactions are shown as dashed lines.](e-68-0o225-fig2){#Fap2}

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

  ----------------------------------- ---------------------------------------
  CH~6~N^+^·BF~4~^−^·C~12~H~24~O~6~   *F*(000) = 1632
  *M~r~* = 383.19                     *D*~x~ = 1.285 Mg m^−3^
  Monoclinic, *C*2/*c*                Mo *K*α radiation, λ = 0.71073 Å
  Hall symbol: -C 2yc                 Cell parameters from 3450 reflections
  *a* = 24.375 (5) Å                  θ = 6.2--55.3°
  *b* = 8.5404 (17) Å                 µ = 0.12 mm^−1^
  *c* = 21.345 (4) Å                  *T* = 293 K
  β = 116.90 (3)°                     Block, colorless
  *V* = 3962.7 (14) Å^3^              0.3 × 0.3 × 0.2 mm
  *Z* = 8                             
  ----------------------------------- ---------------------------------------

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

  ------------------------------------------------------------------ --------------------------------------
  Rigaku Mercury CCD diffractometer                                  4519 independent reflections
  Radiation source: fine-focus sealed tube                           2155 reflections with *I* \> 2σ(*I*)
  graphite                                                           *R*~int~ = 0.061
  ω scans                                                            θ~max~ = 27.5°, θ~min~ = 3.1°
  Absorption correction: multi-scan (*CrystalClear*; Rigaku, 2005)   *h* = −31→31
  *T*~min~ = 0.489, *T*~max~ = 1.000                                 *k* = −11→11
  19676 measured reflections                                         *l* = −27→27
  ------------------------------------------------------------------ --------------------------------------

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

  ------------------------------------- -------------------------------------------------------------------------------------------------
  Refinement on *F*^2^                  Primary atom site location: structure-invariant direct methods
  Least-squares matrix: full            Secondary atom site location: difference Fourier map
  *R*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.073   Hydrogen site location: inferred from neighbouring sites
  *wR*(*F*^2^) = 0.226                  H-atom parameters constrained
  *S* = 1.03                            *w* = 1/\[σ^2^(*F*~o~^2^) + (0.0967*P*)^2^ + 1.8449*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  4519 reflections                      (Δ/σ)~max~ \< 0.001
  265 parameters                        Δρ~max~ = 0.25 e Å^−3^
  0 restraints                          Δρ~min~ = −0.19 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.
  Refinement. Refinement of *F*^2^ against ALL reflections. The weighted *R*-factor *wR* and goodness of fit *S* are based on *F*^2^, conventional *R*-factors *R* are based on *F*, with *F* set to zero for negative *F*^2^. The threshold expression of *F*^2^ \> σ(*F*^2^) is used only for calculating *R*-factors(gt) *etc*. and is not relevant to the choice of reflections for refinement. *R*-factors based on *F*^2^ are statistically about twice as large as those based on *F*, and *R*- factors based on ALL data will be even larger.
  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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

  ------ -------------- ------------- -------------- -------------------- ------------
         *x*            *y*           *z*            *U*~iso~\*/*U*~eq~   Occ. (\<1)
  B1     0.0812 (2)     0.6121 (6)    0.4200 (2)     0.0824 (12)          
  C1     0.09781 (16)   0.9413 (5)    0.04075 (16)   0.0815 (11)          
  H1D    0.1361         0.9848        0.0451         0.098\*              
  H1E    0.0666         0.9547        −0.0074        0.098\*              
  C2     0.10575 (15)   0.7737 (4)    0.05902 (16)   0.0798 (10)          
  H2A    0.0684         0.7324        0.0584         0.096\*              
  H2B    0.1138         0.7162        0.0249         0.096\*              
  C3     0.16487 (15)   0.5967 (4)    0.14898 (18)   0.0713 (9)           
  H3A    0.1717         0.5339        0.1153         0.086\*              
  H3B    0.1285         0.5573        0.1513         0.086\*              
  C4     0.21812 (15)   0.5856 (3)    0.21816 (19)   0.0710 (9)           
  H4A    0.2285         0.4764        0.2302         0.085\*              
  H4B    0.2532         0.6367        0.2171         0.085\*              
  C5     0.25467 (14)   0.6571 (4)    0.33741 (17)   0.0726 (9)           
  H5A    0.2888         0.7145        0.3369         0.087\*              
  H5B    0.2679         0.5500        0.3513         0.087\*              
  C6     0.23720 (16)   0.7287 (4)    0.38822 (16)   0.0786 (11)          
  H6A    0.2014         0.6757        0.3867         0.094\*              
  H6B    0.2707         0.7183        0.4353         0.094\*              
  C7     0.2087 (2)     0.9725 (5)    0.41965 (19)   0.0952 (12)          
  H7A    0.2418         0.9602        0.4668         0.114\*              
  H7B    0.1715         0.9291        0.4185         0.114\*              
  C8     0.1995 (2)     1.1415 (5)    0.4007 (2)     0.1035 (14)          
  H8A    0.1915         1.1987        0.4349         0.124\*              
  H8B    0.2364         1.1843        0.4007         0.124\*              
  C9     0.1367 (3)     1.3161 (4)    0.3089 (3)     0.1140 (16)          
  H9A    0.1722         1.3590        0.3058         0.137\*              
  H9B    0.1294         1.3782        0.3424         0.137\*              
  C10    0.0821 (3)     1.3234 (5)    0.2390 (3)     0.1215 (18)          
  H10A   0.0477         1.2691        0.2405         0.146\*              
  H10B   0.0702         1.4316        0.2261         0.146\*              
  C11    0.04701 (16)   1.2532 (5)    0.1191 (3)     0.1032 (15)          
  H11A   0.0336         1.3600        0.1049         0.124\*              
  H11B   0.0126         1.1944        0.1183         0.124\*              
  C12    0.06760 (16)   1.1822 (4)    0.0705 (2)     0.0937 (13)          
  H12A   0.0360         1.1944        0.0224         0.112\*              
  H12B   0.1045         1.2344        0.0749         0.112\*              
  C13    0.06353 (16)   0.8461 (5)    0.2238 (2)     0.0916 (12)          
  H13A   0.0719         0.7970        0.2677         0.137\*              
  H13B   0.0485         0.7693        0.1870         0.137\*              
  H13C   0.0331         0.9264        0.2137         0.137\*              
  F1     0.0811 (5)     0.6402 (13)   0.3601 (5)     0.131 (3)            0.481 (11)
  F2     0.1331 (3)     0.5661 (14)   0.4620 (5)     0.165 (5)            0.481 (11)
  F3     0.1255 (7)     0.705 (3)     0.4670 (9)     0.198 (8)            0.481 (11)
  F4     0.0293 (5)     0.6160 (16)   0.4217 (8)     0.156 (5)            0.481 (11)
  F1\'   0.0550 (4)     0.5665 (13)   0.3505 (4)     0.128 (3)            0.519 (11)
  F2\'   0.1037 (8)     0.4578 (13)   0.4316 (7)     0.245 (7)            0.519 (11)
  F3\'   0.0814 (5)     0.7788 (7)    0.4154 (6)     0.131 (3)            0.519 (11)
  F4\'   0.0385 (5)     0.5822 (11)   0.4440 (7)     0.134 (4)            0.519 (11)
  N1     0.12000 (9)    0.9158 (2)    0.22837 (11)   0.0495 (6)           
  H1A    0.1325         0.9917        0.2604         0.074\*              
  H1B    0.1128         0.9553        0.1868         0.074\*              
  H1C    0.1491         0.8427        0.2408         0.074\*              
  O1     0.15612 (9)    0.7548 (2)    0.12755 (10)   0.0627 (6)           
  O2     0.20466 (8)    0.6585 (2)    0.27007 (10)   0.0589 (5)           
  O3     0.22339 (9)    0.8921 (2)    0.37129 (10)   0.0678 (6)           
  O4     0.14840 (12)   1.1580 (3)    0.33206 (15)   0.0861 (8)           
  O5     0.09714 (10)   1.2516 (2)    0.18839 (14)   0.0836 (7)           
  O6     0.07986 (9)    1.0197 (3)    0.08667 (11)   0.0745 (6)           
  ------ -------------- ------------- -------------- -------------------- ------------

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

  ------ ------------- ------------- ------------- -------------- ------------- --------------
         *U*^11^       *U*^22^       *U*^33^       *U*^12^        *U*^13^       *U*^23^
  B1     0.093 (4)     0.091 (4)     0.079 (3)     −0.017 (3)     0.052 (3)     −0.021 (3)
  C1     0.077 (2)     0.108 (3)     0.0402 (17)   −0.023 (2)     0.0092 (16)   0.0027 (17)
  C2     0.072 (2)     0.099 (3)     0.0504 (18)   −0.0180 (19)   0.0124 (17)   −0.0165 (18)
  C3     0.072 (2)     0.0590 (19)   0.086 (2)     0.0001 (16)    0.0379 (19)   −0.0157 (17)
  C4     0.074 (2)     0.0512 (17)   0.102 (3)     0.0160 (15)    0.052 (2)     −0.0005 (17)
  C5     0.0608 (19)   0.0652 (19)   0.072 (2)     0.0068 (15)    0.0130 (17)   0.0232 (16)
  C6     0.080 (2)     0.079 (2)     0.0510 (18)   −0.0188 (18)   0.0075 (17)   0.0282 (17)
  C7     0.113 (3)     0.119 (3)     0.062 (2)     −0.033 (3)     0.047 (2)     −0.015 (2)
  C8     0.140 (4)     0.108 (3)     0.087 (3)     −0.042 (3)     0.072 (3)     −0.049 (2)
  C9     0.170 (5)     0.060 (2)     0.163 (5)     0.000 (3)      0.119 (4)     −0.030 (3)
  C10    0.143 (4)     0.060 (2)     0.209 (6)     0.039 (3)      0.121 (5)     0.017 (3)
  C11    0.053 (2)     0.070 (2)     0.160 (4)     0.0206 (18)    0.025 (3)     0.047 (3)
  C12    0.0542 (19)   0.087 (3)     0.100 (3)     0.0011 (19)    0.000 (2)     0.055 (2)
  C13    0.071 (2)     0.091 (3)     0.121 (3)     −0.0077 (19)   0.051 (2)     0.014 (2)
  F1     0.164 (8)     0.154 (8)     0.084 (5)     −0.001 (5)     0.064 (6)     0.024 (5)
  F2     0.077 (4)     0.167 (9)     0.153 (7)     −0.012 (5)     −0.035 (4)    0.070 (6)
  F3     0.143 (9)     0.293 (16)    0.188 (12)    −0.136 (11)    0.102 (9)     −0.138 (13)
  F4     0.087 (5)     0.236 (12)    0.166 (9)     −0.025 (5)     0.076 (5)     −0.021 (7)
  F1\'   0.125 (6)     0.157 (8)     0.095 (4)     0.004 (4)      0.044 (4)     −0.051 (5)
  F2\'   0.445 (18)    0.148 (8)     0.296 (12)    0.147 (10)     0.302 (14)    0.114 (8)
  F3\'   0.156 (7)     0.091 (4)     0.154 (6)     −0.039 (4)     0.077 (6)     −0.006 (4)
  F4\'   0.207 (10)    0.103 (4)     0.173 (8)     −0.099 (6)     0.156 (8)     −0.088 (5)
  N1     0.0497 (12)   0.0450 (12)   0.0531 (13)   0.0062 (10)    0.0227 (11)   0.0051 (10)
  O1     0.0595 (12)   0.0602 (13)   0.0624 (13)   −0.0057 (9)    0.0223 (10)   −0.0088 (10)
  O2     0.0451 (10)   0.0542 (11)   0.0685 (13)   0.0106 (8)     0.0178 (10)   0.0096 (9)
  O3     0.0808 (14)   0.0767 (14)   0.0451 (11)   −0.0172 (11)   0.0277 (10)   0.0049 (10)
  O4     0.115 (2)     0.0612 (14)   0.110 (2)     −0.0184 (13)   0.0749 (18)   −0.0261 (13)
  O5     0.0680 (14)   0.0553 (13)   0.130 (2)     0.0189 (11)    0.0476 (15)   0.0133 (13)
  O6     0.0686 (14)   0.0717 (14)   0.0649 (13)   −0.0036 (11)   0.0140 (11)   0.0222 (11)
  ------ ------------- ------------- ------------- -------------- ------------- --------------

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

  ------------------ ------------ ------------------- -----------
  B1---F2            1.238 (8)    C7---O3             1.414 (4)
  B1---F4            1.281 (11)   C7---C8             1.489 (6)
  B1---F1            1.299 (9)    C7---H7A            0.9700
  B1---F3            1.348 (8)    C7---H7B            0.9700
  B1---F4\'          1.376 (10)   C8---O4             1.437 (5)
  B1---F1\'          1.380 (8)    C8---H8A            0.9700
  B1---F2\'          1.406 (9)    C8---H8B            0.9700
  B1---F3\'          1.428 (7)    C9---O4             1.422 (5)
  C1---O6            1.410 (4)    C9---C10            1.486 (7)
  C1---C2            1.474 (5)    C9---H9A            0.9700
  C1---H1D           0.9700       C9---H9B            0.9700
  C1---H1E           0.9700       C10---O5            1.427 (5)
  C2---O1            1.431 (4)    C10---H10A          0.9700
  C2---H2A           0.9700       C10---H10B          0.9700
  C2---H2B           0.9700       C11---O5            1.430 (5)
  C3---O1            1.411 (3)    C11---C12           1.473 (6)
  C3---C4            1.463 (5)    C11---H11A          0.9700
  C3---H3A           0.9700       C11---H11B          0.9700
  C3---H3B           0.9700       C12---O6            1.429 (4)
  C4---O2            1.432 (3)    C12---H12A          0.9700
  C4---H4A           0.9700       C12---H12B          0.9700
  C4---H4B           0.9700       C13---N1            1.461 (4)
  C5---O2            1.402 (3)    C13---H13A          0.9600
  C5---C6            1.466 (5)    C13---H13B          0.9600
  C5---H5A           0.9700       C13---H13C          0.9600
  C5---H5B           0.9700       N1---H1A            0.8900
  C6---O3            1.443 (4)    N1---H1B            0.8900
  C6---H6A           0.9700       N1---H1C            0.8900
  C6---H6B           0.9700                           
                                                      
  F2---B1---F4       133.3 (10)   O3---C6---H6A       109.8
  F2---B1---F1       108.5 (8)    C5---C6---H6A       109.8
  F4---B1---F1       117.4 (9)    O3---C6---H6B       109.8
  F2---B1---F3       55.5 (12)    C5---C6---H6B       109.8
  F4---B1---F3       115.6 (8)    H6A---C6---H6B      108.3
  F1---B1---F3       105.5 (7)    O3---C7---C8        109.2 (3)
  F2---B1---F4\'     111.6 (8)    O3---C7---H7A       109.8
  F4---B1---F4\'     21.9 (12)    C8---C7---H7A       109.8
  F1---B1---F4\'     137.4 (8)    O3---C7---H7B       109.8
  F3---B1---F4\'     108.6 (6)    C8---C7---H7B       109.8
  F2---B1---F1\'     120.9 (8)    H7A---C7---H7B      108.3
  F4---B1---F1\'     93.2 (8)     O4---C8---C7        109.0 (3)
  F1---B1---F1\'     36.9 (4)     O4---C8---H8A       109.9
  F3---B1---F1\'     142.3 (7)    C7---C8---H8A       109.9
  F4\'---B1---F1\'   106.7 (6)    O4---C8---H8B       109.9
  F2---B1---F2\'     52.0 (7)     C7---C8---H8B       109.9
  F4---B1---F2\'     109.4 (10)   H8A---C8---H8B      108.3
  F1---B1---F2\'     100.0 (6)    O4---C9---C10       109.7 (4)
  F3---B1---F2\'     107.4 (16)   O4---C9---H9A       109.7
  F4\'---B1---F2\'   93.6 (8)     C10---C9---H9A      109.7
  F1\'---B1---F2\'   83.0 (9)     O4---C9---H9B       109.7
  F2---B1---F3\'     109.4 (8)    C10---C9---H9B      109.7
  F4---B1---F3\'     90.6 (7)     H9A---C9---H9B      108.2
  F1---B1---F3\'     75.4 (6)     O5---C10---C9       108.8 (3)
  F3---B1---F3\'     55.9 (9)     O5---C10---H10A     109.9
  F4\'---B1---F3\'   103.7 (6)    C9---C10---H10A     109.9
  F1\'---B1---F3\'   102.9 (6)    O5---C10---H10B     109.9
  F2\'---B1---F3\'   159.0 (10)   C9---C10---H10B     109.9
  O6---C1---C2       108.8 (3)    H10A---C10---H10B   108.3
  O6---C1---H1D      109.9        O5---C11---C12      108.7 (3)
  C2---C1---H1D      109.9        O5---C11---H11A     109.9
  O6---C1---H1E      109.9        C12---C11---H11A    109.9
  C2---C1---H1E      109.9        O5---C11---H11B     109.9
  H1D---C1---H1E     108.3        C12---C11---H11B    109.9
  O1---C2---C1       109.2 (2)    H11A---C11---H11B   108.3
  O1---C2---H2A      109.8        O6---C12---C11      109.2 (3)
  C1---C2---H2A      109.8        O6---C12---H12A     109.8
  O1---C2---H2B      109.8        C11---C12---H12A    109.8
  C1---C2---H2B      109.8        O6---C12---H12B     109.8
  H2A---C2---H2B     108.3        C11---C12---H12B    109.8
  O1---C3---C4       108.9 (2)    H12A---C12---H12B   108.3
  O1---C3---H3A      109.9        N1---C13---H13A     109.5
  C4---C3---H3A      109.9        N1---C13---H13B     109.5
  O1---C3---H3B      109.9        H13A---C13---H13B   109.5
  C4---C3---H3B      109.9        N1---C13---H13C     109.5
  H3A---C3---H3B     108.3        H13A---C13---H13C   109.5
  O2---C4---C3       110.1 (2)    H13B---C13---H13C   109.5
  O2---C4---H4A      109.6        C13---N1---H1A      109.5
  C3---C4---H4A      109.6        C13---N1---H1B      109.5
  O2---C4---H4B      109.6        H1A---N1---H1B      109.5
  C3---C4---H4B      109.6        C13---N1---H1C      109.5
  H4A---C4---H4B     108.2        H1A---N1---H1C      109.5
  O2---C5---C6       110.2 (3)    H1B---N1---H1C      109.5
  O2---C5---H5A      109.6        C3---O1---C2        111.9 (2)
  C6---C5---H5A      109.6        C5---O2---C4        113.1 (2)
  O2---C5---H5B      109.6        C7---O3---C6        113.2 (3)
  C6---C5---H5B      109.6        C9---O4---C8        113.1 (3)
  H5A---C5---H5B     108.1        C10---O5---C11      112.7 (3)
  O3---C6---C5       109.3 (2)    C1---O6---C12       112.9 (3)
  ------------------ ------------ ------------------- -----------

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

  ------------------------ --------- --------- ------------ ---------------
  *D*---H···*A*            *D*---H   H···*A*   *D*···*A*    *D*---H···*A*
  N1---H1C···O2            0.89      1.98      2.867 (3)    171
  N1---H1B···O6            0.89      1.99      2.866 (3)    168
  N1---H1A···O4            0.89      1.99      2.876 (3)    171
  C2---H2B···F2\'^i^       0.97      2.41      3.345 (14)   163
  C7---H7B···F3\'          0.97      2.52      3.481 (13)   172
  C9---H9B···F1\'^ii^      0.97      2.49      3.306 (12)   142
  C9---H9B···F2\'^ii^      0.97      2.36      3.298 (17)   163
  C11---H11A···F4\'^iii^   0.97      2.47      3.393 (12)   158
  ------------------------ --------- --------- ------------ ---------------

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

###### Hydrogen-bond geometry (Å, °)

  *D*---H⋯*A*             *D*---H   H⋯*A*   *D*⋯*A*      *D*---H⋯*A*
  ----------------------- --------- ------- ------------ -------------
  N1---H1*C*⋯O2           0.89      1.98    2.867 (3)    171
  N1---H1*B*⋯O6           0.89      1.99    2.866 (3)    168
  N1---H1*A*⋯O4           0.89      1.99    2.876 (3)    171
  C2---H2*B*⋯F2′^i^       0.97      2.41    3.345 (14)   163
  C7---H7*B*⋯F3′          0.97      2.52    3.481 (13)   172
  C9---H9*B*⋯F1′^ii^      0.97      2.49    3.306 (12)   142
  C9---H9*B*⋯F2′^ii^      0.97      2.36    3.298 (17)   163
  C11---H11*A*⋯F4′^iii^   0.97      2.47    3.393 (12)   158

Symmetry codes: (i) ; (ii) ; (iii) .