Symmetrically backfolded molecules emulating the self-similar features of a Sierpinski triangle.
Hu, Jie-Ying; Sun, Yan-Qiong; Xiao, Ran; Cheng, Shengxian; He, Jun; Zeller, Matthias; Wong, Wai-Yeung; Xu, Zhengtao; Organic & biomolecular chemistry 17 (2019) 6032–6037; doi:10.1039/c9ob00958b

data_7156885
_publ_section_title
;
 Symmetrically backfolded molecules emulating the self-similar features of
 a Sierpinski triangle.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6032
_journal_page_last               6037
_journal_paper_doi               10.1039/c9ob00958b
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C74 H74 O4 S4'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_audit_block_doi                 10.5517/ccdc.csd.cc1ppxcn
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2017-08-22 deposited with the CCDC.    2019-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.717(4)
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_computing_structure_refinement
;  
SHELXL-2017/1 (Sheldrick, 2017), 
SHELXLE Rev853 (H\"ubschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_number            15825
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'
_exptl_crystal_colour            orange
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_exptl_crystal_description       rod
_exptl_crystal_F_000             614
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+0.5797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1140
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6125
_reflns_number_total             7591
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ob00958b2.cif
_cod_data_source_block           08mz032_0m
_cod_depositor_comments          'Adding full bibliography for 7156885.cif.'
_cod_original_cell_volume        1547.0(6)
_cod_database_code               7156885
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.980
_shelx_res_checksum              68221