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#$Date: 2023-01-17 10:45:29 +0200 (Tue, 17 Jan 2023) $
#$Revision: 280366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/64/8106471.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_8106471
loop_
_publ_author_name
'Altamimi, Rashid'
'Ghabbour, Hazem A.'
'Aldawsari, Fahad'
'AlRuqi, Obaid S.'
'Alqahtani, Nasser'
_publ_section_title
;
 Crystal structure of
 1,1′-(3,4-diphenylthieno[2,3-b]thiophene-2,5-diyl)bis[1-phenyl-methanone],
 C32H20O2S2
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              167
_journal_page_last               169
_journal_paper_doi               10.1515/ncrs-2016-0165
_journal_volume                  232
_journal_year                    2017
_chemical_formula_sum            'C32 H20 O2 S2'
_chemical_formula_weight         500.60
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.828(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2763(8)
_cell_length_b                   19.9178(15)
_cell_length_c                   11.8597(10)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.95
_cell_measurement_theta_min      2.23
_cell_volume                     2424.5(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1704
_diffrn_reflns_av_sigmaI/netI    0.1100
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            46788
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.67
_diffrn_standards_decay_%        .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.249
_exptl_absorpt_correction_T_max  0.9857
_exptl_absorpt_correction_T_min  0.8883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADBS_Bruker_2014
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5560
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0696P)²+0.9769P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1588
_refine_ls_wR_factor_ref         0.1782
_reflns_number_gt                3412
_reflns_number_total             5560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0165_suppl.cif
_cod_data_source_block           a_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8106471
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S -0.64720(8) -0.43422(4) -0.07815(7) 0.0413(2) Uani 1 1 d . . .
S2 S -0.44743(9) -0.41162(4) -0.26422(7) 0.0433(2) Uani 1 1 d . . .
O1 O -0.7921(2) -0.48721(12) 0.10123(18) 0.0521(6) Uani 1 1 d . . .
O2 O -0.2912(3) -0.41789(12) -0.4521(2) 0.0663(8) Uani 1 1 d . . .
C1 C -0.6988(3) -0.51734(13) -0.0661(2) 0.0334(7) Uani 1 1 d . . .
C2 C -0.6380(3) -0.56051(13) -0.1372(2) 0.0293(6) Uani 1 1 d . . .
C3 C -0.5453(3) -0.52560(13) -0.2022(2) 0.0301(6) Uani 1 1 d . . .
C4 C -0.4518(3) -0.54316(14) -0.2842(2) 0.0307(6) Uani 1 1 d . . .
C5 C -0.3930(3) -0.48624(14) -0.3250(3) 0.0361(7) Uani 1 1 d . . .
C6 C -0.5461(3) -0.45701(14) -0.1818(2) 0.0343(7) Uani 1 1 d . . .
C7 C -0.7937(3) -0.52680(15) 0.0222(2) 0.0356(7) Uani 1 1 d . . .
C8 C -0.8903(3) -0.58276(15) 0.0159(2) 0.0361(7) Uani 1 1 d . . .
C9 C -0.9256(4) -0.61272(18) 0.1150(3) 0.0505(9) Uani 1 1 d . . .
H9A H -0.8905 -0.5973 0.1840 0.061 Uiso 1 1 calc R . .
C10 C -1.0123(4) -0.6652(2) 0.1117(4) 0.0638(11) Uani 1 1 d . . .
H10A H -1.0338 -0.6862 0.1784 0.077 Uiso 1 1 calc R . .
C11 C -1.0673(4) -0.6867(2) 0.0105(4) 0.0642(11) Uani 1 1 d . . .
H11A H -1.1254 -0.7225 0.0087 0.077 Uiso 1 1 calc R . .
C12 C -1.0369(3) -0.65568(19) -0.0888(3) 0.0560(9) Uani 1 1 d . . .
H12A H -1.0761 -0.6695 -0.1572 0.067 Uiso 1 1 calc R . .
C13 C -0.9479(3) -0.60387(16) -0.0853(3) 0.0428(8) Uani 1 1 d . . .
H13A H -0.9264 -0.5830 -0.1520 0.051 Uiso 1 1 calc R . .
C14 C -0.6686(3) -0.63324(13) -0.1498(2) 0.0287(6) Uani 1 1 d . . .
C15 C -0.6580(3) -0.67707(14) -0.0595(2) 0.0353(7) Uani 1 1 d . . .
H15A H -0.6261 -0.6618 0.0106 0.042 Uiso 1 1 calc R . .
C16 C -0.6947(3) -0.74371(16) -0.0728(3) 0.0458(8) Uani 1 1 d . . .
H16A H -0.6859 -0.7732 -0.0121 0.055 Uiso 1 1 calc R . .
C17 C -0.7439(4) -0.76592(15) -0.1757(3) 0.0482(9) Uani 1 1 d . . .
H17A H -0.7713 -0.8102 -0.1839 0.058 Uiso 1 1 calc R . .
C18 C -0.7531(3) -0.72332(16) -0.2667(3) 0.0473(9) Uani 1 1 d . . .
H18A H -0.7850 -0.7389 -0.3366 0.057 Uiso 1 1 calc R . .
C19 C -0.7147(3) -0.65718(14) -0.2541(2) 0.0356(7) Uani 1 1 d . . .
H19A H -0.7199 -0.6285 -0.3160 0.043 Uiso 1 1 calc R . .
C20 C -0.4207(3) -0.61329(14) -0.3135(2) 0.0330(7) Uani 1 1 d . . .
C21 C -0.3739(3) -0.65675(15) -0.2294(3) 0.0427(8) Uani 1 1 d . . .
H21A H -0.3627 -0.6413 -0.1556 0.051 Uiso 1 1 calc R . .
C22 C -0.3439(4) -0.72208(17) -0.2536(4) 0.0604(11) Uani 1 1 d . . .
H22A H -0.3137 -0.7508 -0.1962 0.073 Uiso 1 1 calc R . .
C23 C -0.3583(4) -0.74463(19) -0.3611(5) 0.0722(13) Uani 1 1 d . . .
H23A H -0.3367 -0.7888 -0.3775 0.087 Uiso 1 1 calc R . .
C24 C -0.4043(4) -0.7031(2) -0.4462(4) 0.0688(13) Uani 1 1 d . . .
H24A H -0.4150 -0.7193 -0.5196 0.083 Uiso 1 1 calc R . .
C25 C -0.4349(3) -0.63694(18) -0.4229(3) 0.0481(9) Uani 1 1 d . . .
H25A H -0.4649 -0.6085 -0.4808 0.058 Uiso 1 1 calc R . .
C26 C -0.2978(3) -0.47437(16) -0.4119(3) 0.0417(8) Uani 1 1 d . . .
C27 C -0.2109(3) -0.52829(15) -0.4511(3) 0.0397(7) Uani 1 1 d . . .
C28 C -0.1951(4) -0.5342(2) -0.5657(3) 0.0621(11) Uani 1 1 d . . .
H28A H -0.2404 -0.5059 -0.6161 0.074 Uiso 1 1 calc R . .
C29 C -0.1123(5) -0.5820(2) -0.6048(4) 0.0841(15) Uani 1 1 d . . .
H29A H -0.1038 -0.5869 -0.6820 0.101 Uiso 1 1 calc R . .
C30 C -0.0423(5) -0.6222(2) -0.5311(4) 0.0796(14) Uani 1 1 d . . .
H30A H 0.0144 -0.6541 -0.5583 0.096 Uiso 1 1 calc R . .
C31 C -0.0553(4) -0.6158(2) -0.4162(4) 0.0646(11) Uani 1 1 d . . .
H31A H -0.0069 -0.6430 -0.3660 0.078 Uiso 1 1 calc R . .
C32 C -0.1408(3) -0.56885(16) -0.3761(3) 0.0458(8) Uani 1 1 d . . .
H32A H -0.1509 -0.5647 -0.2989 0.055 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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
C6 S1 C1 90.26(14) . .
C6 S2 C5 89.83(14) . .
C2 C1 C7 133.6(3) . .
C2 C1 S1 113.2(2) . .
C7 C1 S1 113.1(2) . .
C1 C2 C3 111.1(2) . .
C1 C2 C14 124.7(3) . .
C3 C2 C14 124.1(2) . .
C6 C3 C2 112.0(2) . .
C6 C3 C4 111.5(3) . .
C2 C3 C4 136.6(3) . .
C5 C4 C3 110.7(2) . .
C5 C4 C20 126.1(3) . .
C3 C4 C20 123.1(2) . .
C4 C5 C26 133.8(3) . .
C4 C5 S2 113.4(2) . .
C26 C5 S2 112.8(2) . .
C3 C6 S2 114.5(2) . .
C3 C6 S1 113.3(2) . .
S2 C6 S1 132.23(17) . .
O1 C7 C1 118.4(3) . .
O1 C7 C8 120.2(3) . .
C1 C7 C8 121.3(2) . .
C13 C8 C9 119.4(3) . .
C13 C8 C7 121.9(3) . .
C9 C8 C7 118.8(3) . .
C10 C9 C8 120.1(4) . .
C10 C9 H9A 119.9 . .
C8 C9 H9A 119.9 . .
C11 C10 C9 120.1(4) . .
C11 C10 H10A 119.9 . .
C9 C10 H10A 119.9 . .
C10 C11 C12 120.5(4) . .
C10 C11 H11A 119.8 . .
C12 C11 H11A 119.8 . .
C13 C12 C11 119.2(4) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
C8 C13 C12 120.7(3) . .
C8 C13 H13A 119.7 . .
C12 C13 H13A 119.7 . .
C15 C14 C19 119.0(3) . .
C15 C14 C2 121.9(2) . .
C19 C14 C2 119.0(2) . .
C14 C15 C16 120.4(3) . .
C14 C15 H15A 119.8 . .
C16 C15 H15A 119.8 . .
C17 C16 C15 119.7(3) . .
C17 C16 H16A 120.1 . .
C15 C16 H16A 120.1 . .
C16 C17 C18 120.6(3) . .
C16 C17 H17A 119.7 . .
C18 C17 H17A 119.7 . .
C17 C18 C19 119.7(3) . .
C17 C18 H18A 120.1 . .
C19 C18 H18A 120.1 . .
C18 C19 C14 120.5(3) . .
C18 C19 H19A 119.7 . .
C14 C19 H19A 119.7 . .
C25 C20 C21 118.6(3) . .
C25 C20 C4 121.9(3) . .
C21 C20 C4 119.4(3) . .
C22 C21 C20 121.0(3) . .
C22 C21 H21A 119.5 . .
C20 C21 H21A 119.5 . .
C23 C22 C21 119.8(4) . .
C23 C22 H22A 120.1 . .
C21 C22 H22A 120.1 . .
C22 C23 C24 120.7(3) . .
C22 C23 H23A 119.6 . .
C24 C23 H23A 119.6 . .
C23 C24 C25 120.1(4) . .
C23 C24 H24A 120.0 . .
C25 C24 H24A 120.0 . .
C20 C25 C24 119.8(4) . .
C20 C25 H25A 120.1 . .
C24 C25 H25A 120.1 . .
O2 C26 C5 118.1(3) . .
O2 C26 C27 119.7(3) . .
C5 C26 C27 122.2(3) . .
C32 C27 C28 120.1(3) . .
C32 C27 C26 121.7(3) . .
C28 C27 C26 118.1(3) . .
C29 C28 C27 119.8(4) . .
C29 C28 H28A 120.1 . .
C27 C28 H28A 120.1 . .
C30 C29 C28 120.4(4) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C29 C30 C31 120.3(4) . .
C29 C30 H30A 119.9 . .
C31 C30 H30A 119.9 . .
C30 C31 C32 119.7(4) . .
C30 C31 H31A 120.2 . .
C32 C31 H31A 120.2 . .
C27 C32 C31 119.7(3) . .
C27 C32 H32A 120.2 . .
C31 C32 H32A 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C6 1.710(3) .
S1 C1 1.746(3) .
S2 C6 1.702(3) .
S2 C5 1.755(3) .
O1 C7 1.224(3) .
O2 C26 1.225(4) .
C1 C2 1.375(4) .
C1 C7 1.478(4) .
C2 C3 1.434(4) .
C2 C14 1.488(4) .
C3 C6 1.387(4) .
C3 C4 1.444(4) .
C4 C5 1.383(4) .
C4 C20 1.478(4) .
C5 C26 1.474(4) .
C7 C8 1.492(4) .
C8 C13 1.377(4) .
C8 C9 1.383(4) .
C9 C10 1.373(5) .
C9 H9A 0.9300 .
C10 C11 1.370(6) .
C10 H10A 0.9300 .
C11 C12 1.379(5) .
C11 H11A 0.9300 .
C12 C13 1.379(5) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.382(4) .
C14 C19 1.387(4) .
C15 C16 1.387(4) .
C15 H15A 0.9300 .
C16 C17 1.371(5) .
C16 H16A 0.9300 .
C17 C18 1.373(5) .
C17 H17A 0.9300 .
C18 C19 1.381(4) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 C25 1.381(4) .
C20 C21 1.389(4) .
C21 C22 1.371(4) .
C21 H21A 0.9300 .
C22 C23 1.354(6) .
C22 H22A 0.9300 .
C23 C24 1.371(6) .
C23 H23A 0.9300 .
C24 C25 1.385(5) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.486(4) .
C27 C32 1.378(5) .
C27 C28 1.382(5) .
C28 C29 1.372(6) .
C28 H28A 0.9300 .
C29 C30 1.365(6) .
C29 H29A 0.9300 .
C30 C31 1.382(6) .
C30 H30A 0.9300 .
C31 C32 1.383(5) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
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
C6 S1 C1 C2 1.4(2) . . . .
C6 S1 C1 C7 178.6(2) . . . .
C7 C1 C2 C3 -175.5(3) . . . .
S1 C1 C2 C3 0.9(3) . . . .
C7 C1 C2 C14 7.5(5) . . . .
S1 C1 C2 C14 -176.1(2) . . . .
C1 C2 C3 C6 -3.5(4) . . . .
C14 C2 C3 C6 173.6(3) . . . .
C1 C2 C3 C4 177.1(3) . . . .
C14 C2 C3 C4 -5.8(5) . . . .
C6 C3 C4 C5 -3.2(4) . . . .
C2 C3 C4 C5 176.2(3) . . . .
C6 C3 C4 C20 173.6(3) . . . .
C2 C3 C4 C20 -7.0(5) . . . .
C3 C4 C5 C26 -176.4(3) . . . .
C20 C4 C5 C26 6.9(6) . . . .
C3 C4 C5 S2 0.8(3) . . . .
C20 C4 C5 S2 -175.9(2) . . . .
C6 S2 C5 C4 1.3(2) . . . .
C6 S2 C5 C26 179.2(2) . . . .
C2 C3 C6 S2 -175.2(2) . . . .
C4 C3 C6 S2 4.4(3) . . . .
C2 C3 C6 S1 4.7(3) . . . .
C4 C3 C6 S1 -175.8(2) . . . .
C5 S2 C6 C3 -3.3(2) . . . .
C5 S2 C6 S1 176.9(3) . . . .
C1 S1 C6 C3 -3.5(2) . . . .
C1 S1 C6 S2 176.3(3) . . . .
C2 C1 C7 O1 150.5(3) . . . .
S1 C1 C7 O1 -25.9(4) . . . .
C2 C1 C7 C8 -30.0(5) . . . .
S1 C1 C7 C8 153.6(2) . . . .
O1 C7 C8 C13 143.1(3) . . . .
C1 C7 C8 C13 -36.4(4) . . . .
O1 C7 C8 C9 -34.9(4) . . . .
C1 C7 C8 C9 145.5(3) . . . .
C13 C8 C9 C10 3.2(5) . . . .
C7 C8 C9 C10 -178.7(3) . . . .
C8 C9 C10 C11 -2.0(6) . . . .
C9 C10 C11 C12 -0.5(6) . . . .
C10 C11 C12 C13 1.8(6) . . . .
C9 C8 C13 C12 -1.9(5) . . . .
C7 C8 C13 C12 -180.0(3) . . . .
C11 C12 C13 C8 -0.6(5) . . . .
C1 C2 C14 C15 -58.9(4) . . . .
C3 C2 C14 C15 124.4(3) . . . .
C1 C2 C14 C19 118.2(3) . . . .
C3 C2 C14 C19 -58.5(4) . . . .
C19 C14 C15 C16 -0.9(4) . . . .
C2 C14 C15 C16 176.2(3) . . . .
C14 C15 C16 C17 -1.2(5) . . . .
C15 C16 C17 C18 2.2(5) . . . .
C16 C17 C18 C19 -1.3(5) . . . .
C17 C18 C19 C14 -0.8(5) . . . .
C15 C14 C19 C18 1.9(4) . . . .
C2 C14 C19 C18 -175.3(3) . . . .
C5 C4 C20 C25 -61.0(4) . . . .
C3 C4 C20 C25 122.7(3) . . . .
C5 C4 C20 C21 118.0(3) . . . .
C3 C4 C20 C21 -58.3(4) . . . .
C25 C20 C21 C22 -0.9(5) . . . .
C4 C20 C21 C22 -179.9(3) . . . .
C20 C21 C22 C23 0.9(6) . . . .
C21 C22 C23 C24 -0.9(6) . . . .
C22 C23 C24 C25 0.9(6) . . . .
C21 C20 C25 C24 0.9(5) . . . .
C4 C20 C25 C24 179.9(3) . . . .
C23 C24 C25 C20 -0.9(5) . . . .
C4 C5 C26 O2 159.5(3) . . . .
S2 C5 C26 O2 -17.8(4) . . . .
C4 C5 C26 C27 -20.6(6) . . . .
S2 C5 C26 C27 162.1(3) . . . .
O2 C26 C27 C32 131.7(4) . . . .
C5 C26 C27 C32 -48.2(5) . . . .
O2 C26 C27 C28 -44.1(5) . . . .
C5 C26 C27 C28 136.0(3) . . . .
C32 C27 C28 C29 1.9(6) . . . .
C26 C27 C28 C29 177.9(4) . . . .
C27 C28 C29 C30 -2.1(7) . . . .
C28 C29 C30 C31 0.8(8) . . . .
C29 C30 C31 C32 0.7(7) . . . .
C28 C27 C32 C31 -0.5(5) . . . .
C26 C27 C32 C31 -176.3(3) . . . .
C30 C31 C32 C27 -0.8(6) . . . .
