#------------------------------------------------------------------------------
#$Date: 2025-08-05 23:56:32 +0300 (Tue, 05 Aug 2025) $
#$Revision: 301509 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/47/7134746.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7134746
loop_
_publ_author_name
'Nagase, Mai'
'Yoshida, Ryu'
'Nakano, Sachiko'
'Hirose, Takashi'
'Segawa, Yasutomo'
_publ_section_title
;
 Synthesis, structure, and properties of twisted π-conjugated
 molecules featuring three-dimensional π-π interactions in
 solid states.
;
_journal_issue                   60
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11187
_journal_page_last               11190
_journal_paper_doi               10.1039/d5cc02387d
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         '2(C12 H8 S2)'
_chemical_formula_sum            'C24 H16 S4'
_chemical_formula_weight         432.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-05-07
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2025-01-16 deposited with the CCDC.	2025-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.709(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0579(5)
_cell_length_b                   7.6145(3)
_cell_length_c                   21.3949(7)
_cell_measurement_reflns_used    5701
_cell_measurement_temperature    143.15
_cell_measurement_theta_max      28.7230
_cell_measurement_theta_min      3.2120
_cell_volume                     1891.00(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      143.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.812
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00  18.00   0.50   20.00    --   -6.93  96.00 -88.00  126
  2  ω    -27.00  -2.00   0.50   20.00    --    8.33  96.00 -88.00   50
  3  ω    -29.00  60.00   0.50   20.00    --   -6.93  57.00-180.00  178
  4  ω    -14.00  15.00   0.50   20.00    --   -6.93 -57.00  60.00   58
  5  ω    -11.00  16.00   0.50   20.00    --    8.33 -96.00 162.00   54
  6  ω    -80.00 -17.00   0.50   20.00    --   -6.93 -57.00  60.00  126
  7  ω    -11.00  25.00   0.50   20.00    --   -6.93 -99.00 -30.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0357698000
_diffrn_orient_matrix_UB_12      -0.0702011000
_diffrn_orient_matrix_UB_13      -0.0153980000
_diffrn_orient_matrix_UB_21      0.0494789000
_diffrn_orient_matrix_UB_22      -0.0517999000
_diffrn_orient_matrix_UB_23      0.0014776000
_diffrn_orient_matrix_UB_31      -0.0017310000
_diffrn_orient_matrix_UB_32      -0.0325840000
_diffrn_orient_matrix_UB_33      0.0307994000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.812
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            16448
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.812
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.580
_diffrn_reflns_theta_min         2.675
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.511
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43c (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.626
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4323
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0518P)²+13.3756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2003
_refine_ls_wR_factor_ref         0.2093
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3319
_reflns_number_total             4323
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc02387d3.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7134744--7134746.cif.'
_cod_database_code               7134746
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H S'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C5(H5), C6(H6), C17(H17)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.510
_oxdiff_exptl_absorpt_empirical_full_min 0.829
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S2 S 0.45706(10) 0.37615(19) 0.61638(6) 0.0244(3) Uani 1 1 d . . . . .
S4 S 0.40862(11) -0.1219(2) 0.61297(6) 0.0291(3) Uani 1 1 d . . . . .
S1 S 0.58458(10) 0.7404(2) 0.88260(6) 0.0261(3) Uani 1 1 d . . . . .
S3 S 0.54636(10) 0.2390(2) 0.87972(6) 0.0286(3) Uani 1 1 d . . . . .
C2 C 0.7338(4) 0.6040(7) 0.8291(2) 0.0183(9) Uani 1 1 d . . . . .
C3 C 0.6225(4) 0.5892(7) 0.7819(2) 0.0183(9) Uani 1 1 d . . . . .
C9 C 0.6580(4) 0.5104(7) 0.6704(2) 0.0206(10) Uani 1 1 d . . . . .
C20 C 0.3756(4) 0.0231(7) 0.7156(2) 0.0224(10) Uani 1 1 d . . . . .
C15 C 0.4091(4) 0.0865(7) 0.7806(2) 0.0184(9) Uani 1 1 d . . . . .
C14 C 0.3442(4) 0.1037(7) 0.8284(2) 0.0208(10) Uani 1 1 d . . . . .
C1 C 0.7261(4) 0.6954(7) 0.8836(2) 0.0235(11) Uani 1 1 d . . . . .
C18 C 0.5808(4) 0.0061(8) 0.7174(2) 0.0269(11) Uani 1 1 d . . . . .
H18 H 0.638312 -0.034455 0.698040 0.032 Uiso 1 1 calc R U . . .
C5 C 0.4158(4) 0.6046(8) 0.7775(2) 0.0270(11) Uani 1 1 d . . . . .
H5 H 0.357275 0.644210 0.796220 0.032 Uiso 1 1 calc R U . . .
C6 C 0.3885(4) 0.5113(8) 0.7211(2) 0.0270(11) Uani 1 1 d . . . . .
H6 H 0.311697 0.472921 0.702275 0.032 Uiso 1 1 calc R U . . .
C8 C 0.5914(4) 0.5249(7) 0.7172(2) 0.0217(10) Uani 1 1 d . . . . .
C17 C 0.6104(4) 0.0998(8) 0.7740(2) 0.0268(11) Uani 1 1 d . . . . .
H17 H 0.687287 0.138751 0.792001 0.032 Uiso 1 1 calc R U . . .
C11 C 0.8190(4) 0.7617(8) 0.9401(2) 0.0316(13) Uani 1 1 d . . . . .
H11A H 0.809112 0.888216 0.945111 0.047 Uiso 1 1 calc R U . . .
H11B H 0.894383 0.739607 0.932482 0.047 Uiso 1 1 calc R U . . .
H11C H 0.814507 0.700830 0.979678 0.047 Uiso 1 1 calc R U . . .
C4 C 0.5319(4) 0.6411(8) 0.8074(2) 0.0249(11) Uani 1 1 d . . . . .
C7 C 0.4762(4) 0.4729(7) 0.6914(2) 0.0210(10) Uani 1 1 d . . . . .
C21 C 0.2629(4) 0.0116(8) 0.6699(2) 0.0247(11) Uani 1 1 d . . . . .
C19 C 0.4642(4) -0.0289(7) 0.6885(2) 0.0211(10) Uani 1 1 d . . . . .
C12 C 0.6363(4) 0.3548(8) 0.5596(2) 0.0301(12) Uani 1 1 d . . . . .
H12A H 0.623638 0.227651 0.555592 0.045 Uiso 1 1 calc R U . . .
H12B H 0.718458 0.379891 0.566487 0.045 Uiso 1 1 calc R U . . .
H12C H 0.592092 0.412609 0.519652 0.045 Uiso 1 1 calc R U . . .
C22 C 0.2684(4) -0.0747(8) 0.6141(2) 0.0295(12) Uani 1 1 d . . . . .
C10 C 0.5978(4) 0.4221(7) 0.6158(2) 0.0220(10) Uani 1 1 d . . . . .
C13 C 0.4062(4) 0.1978(8) 0.8817(2) 0.0284(12) Uani 1 1 d . . . . .
C16 C 0.5241(4) 0.1372(8) 0.8050(2) 0.0240(11) Uani 1 1 d . . . . .
C23 C 0.3693(5) 0.2696(11) 0.9380(3) 0.0458(18) Uani 1 1 d . . . . .
H23A H 0.407360 0.204007 0.977407 0.069 Uiso 1 1 calc R U . . .
H23B H 0.285573 0.258056 0.929510 0.069 Uiso 1 1 calc R U . . .
H23C H 0.390761 0.393859 0.944078 0.069 Uiso 1 1 calc R U . . .
C24 C 0.1746(5) -0.1369(11) 0.5575(3) 0.0451(17) Uani 1 1 d . . . . .
H24A H 0.179753 -0.074945 0.518216 0.068 Uiso 1 1 calc R U . . .
H24B H 0.099643 -0.113186 0.565328 0.068 Uiso 1 1 calc R U . . .
H24C H 0.182940 -0.263459 0.551726 0.068 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 S2 C10 92.0(2) . . ?
C19 S4 C22 92.0(2) . . ?
C1 S1 C4 92.2(2) . . ?
C13 S3 C16 91.9(2) . . ?
C3 C2 C9 127.9(4) . 2_656 ?
C1 C2 C3 111.5(4) . . ?
C1 C2 C9 119.7(4) . 2_656 ?
C8 C3 C2 131.1(4) . . ?
C4 C3 C2 112.2(4) . . ?
C4 C3 C8 116.7(4) . . ?
C8 C9 C2 127.5(4) . 2_656 ?
C10 C9 C2 120.2(4) . 2_656 ?
C10 C9 C8 111.2(4) . . ?
C15 C20 C21 130.4(4) . . ?
C19 C20 C15 116.9(4) . . ?
C19 C20 C21 112.6(4) . . ?
C20 C15 C14 130.9(4) . . ?
C16 C15 C20 116.7(4) . . ?
C16 C15 C14 112.4(4) . . ?
C15 C14 C21 128.0(4) . 2_556 ?
C13 C14 C15 110.8(4) . . ?
C13 C14 C21 120.4(4) . 2_556 ?
C2 C1 S1 112.3(3) . . ?
C2 C1 C11 130.1(4) . . ?
C11 C1 S1 117.6(4) . . ?
C17 C18 H18 120.7 . . ?
C17 C18 C19 118.7(4) . . ?
C19 C18 H18 120.7 . . ?
C6 C5 H5 120.6 . . ?
C6 C5 C4 118.7(4) . . ?
C4 C5 H5 120.6 . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.6(4) . . ?
C7 C6 H6 120.7 . . ?
C3 C8 C9 130.7(4) . . ?
C7 C8 C3 116.9(4) . . ?
C7 C8 C9 112.3(4) . . ?
C18 C17 H17 120.8 . . ?
C18 C17 C16 118.3(4) . . ?
C16 C17 H17 120.8 . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C4 S1 110.8(3) . . ?
C5 C4 S1 125.4(4) . . ?
C5 C4 C3 123.6(5) . . ?
C6 C7 S2 125.6(4) . . ?
C6 C7 C8 123.3(5) . . ?
C8 C7 S2 110.8(3) . . ?
C20 C21 C14 128.4(5) . 2_556 ?
C22 C21 C20 110.9(4) . . ?
C22 C21 C14 119.6(4) . 2_556 ?
C20 C19 S4 110.9(3) . . ?
C18 C19 S4 125.5(4) . . ?
C18 C19 C20 123.4(5) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
C21 C22 S4 112.7(4) . . ?
C21 C22 C24 130.5(5) . . ?
C24 C22 S4 116.7(4) . . ?
C9 C10 S2 112.7(3) . . ?
C9 C10 C12 130.2(4) . . ?
C12 C10 S2 117.0(4) . . ?
C14 C13 S3 112.7(4) . . ?
C14 C13 C23 129.9(5) . . ?
C23 C13 S3 117.3(4) . . ?
C15 C16 S3 111.1(3) . . ?
C15 C16 C17 123.7(5) . . ?
C17 C16 S3 125.2(4) . . ?
C13 C23 H23A 109.5 . . ?
C13 C23 H23B 109.5 . . ?
C13 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S2 C7 1.724(5) . ?
S2 C10 1.735(5) . ?
S4 C19 1.725(5) . ?
S4 C22 1.736(5) . ?
S1 C1 1.735(5) . ?
S1 C4 1.735(5) . ?
S3 C13 1.731(5) . ?
S3 C16 1.731(5) . ?
C2 C3 1.450(6) . ?
C2 C9 1.484(6) 2_656 ?
C2 C1 1.383(6) . ?
C3 C8 1.418(6) . ?
C3 C4 1.404(6) . ?
C9 C8 1.448(6) . ?
C9 C10 1.372(7) . ?
C20 C15 1.423(6) . ?
C20 C21 1.446(6) . ?
C20 C19 1.404(6) . ?
C15 C14 1.452(6) . ?
C15 C16 1.397(6) . ?
C14 C21 1.479(7) 2_556 ?
C14 C13 1.383(7) . ?
C1 C11 1.495(7) . ?
C18 H18 0.9500 . ?
C18 C17 1.368(7) . ?
C18 C19 1.400(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.362(8) . ?
C5 C4 1.400(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.405(7) . ?
C8 C7 1.405(6) . ?
C17 H17 0.9500 . ?
C17 C16 1.406(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C21 C22 1.379(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C10 1.494(7) . ?
C22 C24 1.493(7) . ?
C13 C23 1.496(7) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C3 C8 C9 -24.2(10) . . . . ?
C2 C3 C8 C7 159.2(5) . . . . ?
C2 C3 C4 S1 10.0(6) . . . . ?
C2 C3 C4 C5 -165.6(5) . . . . ?
C2 C9 C8 C3 -18.8(9) 2_656 . . . ?
C2 C9 C8 C7 157.9(5) 2_656 . . . ?
C2 C9 C10 S2 -162.8(4) 2_656 . . . ?
C2 C9 C10 C12 20.4(9) 2_656 . . . ?
C3 C2 C1 S1 7.2(6) . . . . ?
C3 C2 C1 C11 -171.2(5) . . . . ?
C3 C8 C7 S2 -173.3(4) . . . . ?
C3 C8 C7 C6 12.1(8) . . . . ?
C9 C2 C3 C8 -19.1(9) 2_656 . . . ?
C9 C2 C3 C4 157.6(5) 2_656 . . . ?
C9 C2 C1 S1 -162.6(4) 2_656 . . . ?
C9 C2 C1 C11 19.1(9) 2_656 . . . ?
C9 C8 C7 S2 9.5(6) . . . . ?
C9 C8 C7 C6 -165.1(5) . . . . ?
C20 C15 C14 C21 20.6(9) . . . 2_556 ?
C20 C15 C14 C13 -170.4(5) . . . . ?
C20 C15 C16 S3 171.6(4) . . . . ?
C20 C15 C16 C17 -11.8(8) . . . . ?
C20 C21 C22 S4 -6.0(6) . . . . ?
C20 C21 C22 C24 171.7(6) . . . . ?
C15 C20 C21 C14 17.7(9) . . . 2_556 ?
C15 C20 C21 C22 -174.0(6) . . . . ?
C15 C20 C19 S4 174.1(4) . . . . ?
C15 C20 C19 C18 -11.2(8) . . . . ?
C15 C14 C13 S3 -8.1(6) . . . . ?
C15 C14 C13 C23 170.4(6) . . . . ?
C14 C15 C16 S3 -10.2(6) . . . . ?
C14 C15 C16 C17 166.3(5) . . . . ?
C14 C21 C22 S4 163.4(4) 2_556 . . . ?
C14 C21 C22 C24 -18.9(10) 2_556 . . . ?
C1 S1 C4 C3 -5.1(4) . . . . ?
C1 S1 C4 C5 170.5(5) . . . . ?
C1 C2 C3 C8 172.3(5) . . . . ?
C1 C2 C3 C4 -11.1(6) . . . . ?
C18 C17 C16 S3 174.9(4) . . . . ?
C18 C17 C16 C15 -1.2(8) . . . . ?
C5 C6 C7 S2 -173.2(4) . . . . ?
C5 C6 C7 C8 0.5(8) . . . . ?
C6 C5 C4 S1 -173.9(4) . . . . ?
C6 C5 C4 C3 1.1(8) . . . . ?
C8 C3 C4 S1 -172.8(4) . . . . ?
C8 C3 C4 C5 11.5(8) . . . . ?
C8 C9 C10 S2 6.3(6) . . . . ?
C8 C9 C10 C12 -170.6(5) . . . . ?
C17 C18 C19 S4 172.0(4) . . . . ?
C17 C18 C19 C20 -1.8(8) . . . . ?
C4 S1 C1 C2 -1.3(4) . . . . ?
C4 S1 C1 C11 177.3(5) . . . . ?
C4 C3 C8 C9 159.2(5) . . . . ?
C4 C3 C8 C7 -17.3(7) . . . . ?
C4 C5 C6 C7 -7.2(8) . . . . ?
C7 S2 C10 C9 -0.8(4) . . . . ?
C7 S2 C10 C12 176.5(4) . . . . ?
C21 C20 C15 C14 23.5(10) . . . . ?
C21 C20 C15 C16 -158.7(6) . . . . ?
C21 C20 C19 S4 -9.2(6) . . . . ?
C21 C20 C19 C18 165.5(5) . . . . ?
C21 C14 C13 S3 161.9(4) 2_556 . . . ?
C21 C14 C13 C23 -19.6(10) 2_556 . . . ?
C19 S4 C22 C21 0.8(5) . . . . ?
C19 S4 C22 C24 -177.3(5) . . . . ?
C19 C20 C15 C14 -160.5(5) . . . . ?
C19 C20 C15 C16 17.3(7) . . . . ?
C19 C20 C21 C14 -158.5(5) . . . 2_556 ?
C19 C20 C21 C22 9.8(7) . . . . ?
C19 C18 C17 C16 8.1(8) . . . . ?
C22 S4 C19 C20 4.9(4) . . . . ?
C22 S4 C19 C18 -169.6(5) . . . . ?
C10 S2 C7 C6 169.3(5) . . . . ?
C10 S2 C7 C8 -5.0(4) . . . . ?
C10 C9 C8 C3 173.2(5) . . . . ?
C10 C9 C8 C7 -10.2(7) . . . . ?
C13 S3 C16 C15 4.8(4) . . . . ?
C13 S3 C16 C17 -171.7(5) . . . . ?
C16 S3 C13 C14 2.1(5) . . . . ?
C16 S3 C13 C23 -176.6(5) . . . . ?
C16 C15 C14 C21 -157.2(5) . . . 2_556 ?
C16 C15 C14 C13 11.8(7) . . . . ?
