#------------------------------------------------------------------------------
#$Date: 2019-08-28 11:25:44 +0300 (Wed, 28 Aug 2019) $
#$Revision: 217786 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/35/7233516.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_7233516
loop_
_publ_author_name
'Jing Zhang'
'Zhiying Ma'
'Qian Zhang'
'Tarunpreet Singh Virk'
'Hua Geng'
'Dong Wang'
'Wei Xu'
'Zhigang Shuai'
'Kamaljit Singh'
'Wenping Hu'
'Daoben Zhu'
_publ_section_title
;
 Substitution effects on the electrical tranporting properties of
 tetrathia[22]annulene[2,1,2,1]: experimental and theoretical
 investigations
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5765
_journal_page_last               5771
_journal_paper_doi               10.1039/C3TC30776J
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'C34 H20 Cl2 S4'
_chemical_formula_sum            'C34 H20 Cl2 S4'
_chemical_formula_weight         627.64
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                108.950(2)
_cell_angle_beta                 112.420(2)
_cell_angle_gamma                95.820(2)
_cell_formula_units_Z            2
_cell_length_a                   11.102(3)
_cell_length_b                   11.949(3)
_cell_length_c                   12.195(3)
_cell_measurement_reflns_used    4702
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.86
_cell_volume                     1366.7(6)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15405
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_T_max  0.9721
_exptl_absorpt_correction_T_min  0.9195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.367
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6247
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+0.5036P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1078
_reflns_number_gt                5627
_reflns_number_total             6247
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000002.cif
_cod_data_source_block           PCOD1000002
_cod_original_cell_volume        1366.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233516
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cl1 Cl 1.08843(6) -0.43957(6) 0.42273(5) 0.03705(15) Uani 1 1 d . . .
Cl2 Cl -0.29692(5) 0.45209(5) -0.10630(5) 0.03279(14) Uani 1 1 d . . .
S1 S 0.25924(5) 0.01069(5) -0.01880(5) 0.02283(12) Uani 1 1 d . . .
S2 S 0.46438(5) -0.13919(5) 0.07090(5) 0.02304(12) Uani 1 1 d . . .
S3 S 0.57284(5) 0.04091(5) 0.34932(4) 0.02214(12) Uani 1 1 d . . .
S4 S 0.33802(5) 0.16676(5) 0.26280(5) 0.02303(12) Uani 1 1 d . . .
C1 C 0.13067(19) 0.0864(2) -0.03947(19) 0.0224(4) Uani 1 1 d . . .
C2 C 0.0286(2) 0.0253(2) -0.1677(2) 0.0287(5) Uani 1 1 d . . .
H2A H -0.0525 0.0494 -0.1993 0.034 Uiso 1 1 calc R . .
C3 C 0.0568(2) -0.0710(2) -0.2421(2) 0.0277(5) Uani 1 1 d . . .
H3A H -0.0025 -0.1186 -0.3304 0.033 Uiso 1 1 calc R . .
C4 C 0.1807(2) -0.0945(2) -0.17803(18) 0.0229(4) Uani 1 1 d . . .
C5 C 0.2269(2) -0.1890(2) -0.24015(19) 0.0244(4) Uani 1 1 d . . .
H5A H 0.1706 -0.2271 -0.3304 0.029 Uiso 1 1 calc R . .
C6 C 0.3336(2) -0.24062(19) -0.20319(19) 0.0237(4) Uani 1 1 d . . .
H6A H 0.3406 -0.2959 -0.2754 0.028 Uiso 1 1 calc R . .
C7 C 0.4348(2) -0.23185(19) -0.08521(18) 0.0221(4) Uani 1 1 d . . .
C8 C 0.5267(2) -0.3044(2) -0.07871(19) 0.0250(4) Uani 1 1 d . . .
H8A H 0.5277 -0.3617 -0.1534 0.030 Uiso 1 1 calc R . .
C9 C 0.6153(2) -0.2862(2) 0.0444(2) 0.0248(4) Uani 1 1 d . . .
H9A H 0.6828 -0.3294 0.0622 0.030 Uiso 1 1 calc R . .
C10 C 0.5972(2) -0.19771(19) 0.14184(19) 0.0222(4) Uani 1 1 d . . .
C11 C 0.67396(19) -0.16103(19) 0.27605(19) 0.0213(4) Uani 1 1 d . . .
C12 C 0.66506(19) -0.06603(19) 0.37411(19) 0.0208(4) Uani 1 1 d . . .
C13 C 0.72741(19) -0.0408(2) 0.50790(19) 0.0232(4) Uani 1 1 d . . .
H13A H 0.7831 -0.0877 0.5429 0.028 Uiso 1 1 calc R . .
C14 C 0.70028(19) 0.0570(2) 0.58215(19) 0.0229(4) Uani 1 1 d . . .
H14A H 0.7358 0.0837 0.6733 0.028 Uiso 1 1 calc R . .
C15 C 0.61551(19) 0.11486(19) 0.51289(18) 0.0211(4) Uani 1 1 d . . .
C16 C 0.5819(2) 0.2200(2) 0.57320(19) 0.0238(4) Uani 1 1 d . . .
H16A H 0.6242 0.2474 0.6646 0.029 Uiso 1 1 calc R . .
C17 C 0.5021(2) 0.2939(2) 0.53219(19) 0.0242(4) Uani 1 1 d . . .
H17A H 0.5160 0.3672 0.6018 0.029 Uiso 1 1 calc R . .
C18 C 0.4059(2) 0.28767(19) 0.41375(19) 0.0233(4) Uani 1 1 d . . .
C19 C 0.3428(2) 0.3826(2) 0.4022(2) 0.0270(4) Uani 1 1 d . . .
H19A H 0.3642 0.4571 0.4737 0.032 Uiso 1 1 calc R . .
C20 C 0.2481(2) 0.3594(2) 0.2800(2) 0.0251(4) Uani 1 1 d . . .
H20A H 0.1999 0.4168 0.2595 0.030 Uiso 1 1 calc R . .
C21 C 0.22841(19) 0.2428(2) 0.18750(19) 0.0218(4) Uani 1 1 d . . .
C22 C 0.13437(19) 0.19365(19) 0.05626(19) 0.0214(4) Uani 1 1 d . . .
C23 C 0.7759(2) -0.2296(2) 0.31732(18) 0.0217(4) Uani 1 1 d . . .
C24 C 0.7377(2) -0.3526(2) 0.2947(2) 0.0293(5) Uani 1 1 d . . .
H24A H 0.6446 -0.3933 0.2551 0.035 Uiso 1 1 calc R . .
C25 C 0.8334(2) -0.4172(2) 0.3290(2) 0.0311(5) Uani 1 1 d . . .
H25A H 0.8063 -0.5009 0.3140 0.037 Uiso 1 1 calc R . .
C26 C 0.9680(2) -0.3579(2) 0.38518(19) 0.0258(5) Uani 1 1 d . . .
C27 C 1.0099(2) -0.2357(2) 0.41001(19) 0.0250(4) Uani 1 1 d . . .
H27A H 1.1031 -0.1957 0.4496 0.030 Uiso 1 1 calc R . .
C28 C 0.9133(2) -0.1725(2) 0.37610(18) 0.0240(4) Uani 1 1 d . . .
H28A H 0.9414 -0.0883 0.3933 0.029 Uiso 1 1 calc R . .
C29 C 0.02979(19) 0.25963(19) 0.01558(19) 0.0212(4) Uani 1 1 d . . .
C30 C -0.0476(2) 0.2904(2) 0.0826(2) 0.0254(4) Uani 1 1 d . . .
H30A H -0.0316 0.2700 0.1551 0.031 Uiso 1 1 calc R . .
C31 C -0.1468(2) 0.3497(2) 0.0459(2) 0.0262(4) Uani 1 1 d . . .
H31A H -0.1989 0.3697 0.0923 0.031 Uiso 1 1 calc R . .
C32 C -0.16920(19) 0.37952(19) -0.05946(19) 0.0233(4) Uani 1 1 d . . .
C33 C -0.0932(2) 0.35335(19) -0.12699(18) 0.0229(4) Uani 1 1 d . . .
H33A H -0.1089 0.3756 -0.1983 0.027 Uiso 1 1 calc R . .
C34 C 0.0064(2) 0.29394(19) -0.08888(18) 0.0222(4) Uani 1 1 d . . .
H34A H 0.0597 0.2762 -0.1344 0.027 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'
Cl Cl 0.1484 0.1585 '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
C4 S1 C1 93.37(10) . .
C7 S2 C10 92.96(10) . .
C15 S3 C12 93.09(9) . .
C18 S4 C21 93.36(10) . .
C22 C1 C2 127.00(19) . .
C22 C1 S1 124.32(15) . .
C2 C1 S1 108.62(16) . .
C3 C2 C1 114.17(19) . .
C3 C2 H2A 122.9 . .
C1 C2 H2A 122.9 . .
C2 C3 C4 114.88(19) . .
C2 C3 H3A 122.6 . .
C4 C3 H3A 122.6 . .
C5 C4 C3 122.62(19) . .
C5 C4 S1 128.45(15) . .
C3 C4 S1 108.93(16) . .
C6 C5 C4 136.14(19) . .
C6 C5 H5A 111.9 . .
C4 C5 H5A 111.9 . .
C5 C6 C7 136.05(19) . .
C5 C6 H6A 112.0 . .
C7 C6 H6A 112.0 . .
C8 C7 C6 122.67(18) . .
C8 C7 S2 109.21(14) . .
C6 C7 S2 128.08(16) . .
C9 C8 C7 114.59(19) . .
C9 C8 H8A 122.7 . .
C7 C8 H8A 122.7 . .
C8 C9 C10 113.98(19) . .
C8 C9 H9A 123.0 . .
C10 C9 H9A 123.0 . .
C9 C10 C11 125.83(19) . .
C9 C10 S2 109.26(15) . .
C11 C10 S2 124.91(16) . .
C12 C11 C10 126.54(18) . .
C12 C11 C23 116.84(17) . .
C10 C11 C23 116.62(18) . .
C11 C12 C13 126.33(18) . .
C11 C12 S3 124.68(15) . .
C13 C12 S3 108.99(15) . .
C14 C13 C12 114.03(18) . .
C14 C13 H13A 123.0 . .
C12 C13 H13A 123.0 . .
C13 C14 C15 114.71(18) . .
C13 C14 H14A 122.6 . .
C15 C14 H14A 122.6 . .
C16 C15 C14 122.80(18) . .
C16 C15 S3 127.91(15) . .
C14 C15 S3 109.17(15) . .
C17 C16 C15 135.64(19) . .
C17 C16 H16A 112.2 . .
C15 C16 H16A 112.2 . .
C16 C17 C18 136.1(2) . .
C16 C17 H17A 111.9 . .
C18 C17 H17A 111.9 . .
C17 C18 C19 122.77(19) . .
C17 C18 S4 128.44(17) . .
C19 C18 S4 108.72(15) . .
C20 C19 C18 114.92(19) . .
C20 C19 H19A 122.5 . .
C18 C19 H19A 122.5 . .
C19 C20 C21 114.11(19) . .
C19 C20 H20A 122.9 . .
C21 C20 H20A 122.9 . .
C22 C21 C20 126.04(19) . .
C22 C21 S4 125.08(16) . .
C20 C21 S4 108.87(14) . .
C21 C22 C1 125.27(18) . .
C21 C22 C29 117.41(18) . .
C1 C22 C29 117.32(17) . .
C24 C23 C28 118.04(19) . .
C24 C23 C11 121.54(18) . .
C28 C23 C11 120.38(19) . .
C25 C24 C23 121.2(2) . .
C25 C24 H24A 119.4 . .
C23 C24 H24A 119.4 . .
C26 C25 C24 119.0(2) . .
C26 C25 H25A 120.5 . .
C24 C25 H25A 120.5 . .
C25 C26 C27 121.49(19) . .
C25 C26 Cl1 119.30(18) . .
C27 C26 Cl1 119.20(17) . .
C26 C27 C28 118.82(19) . .
C26 C27 H27A 120.6 . .
C28 C27 H27A 120.6 . .
C27 C28 C23 121.5(2) . .
C27 C28 H28A 119.3 . .
C23 C28 H28A 119.3 . .
C30 C29 C34 117.90(18) . .
C30 C29 C22 120.15(17) . .
C34 C29 C22 121.95(17) . .
C31 C30 C29 121.49(19) . .
C31 C30 H30A 119.3 . .
C29 C30 H30A 119.3 . .
C30 C31 C32 118.99(19) . .
C30 C31 H31A 120.5 . .
C32 C31 H31A 120.5 . .
C33 C32 C31 121.57(18) . .
C33 C32 Cl2 120.01(15) . .
C31 C32 Cl2 118.42(16) . .
C32 C33 C34 118.84(18) . .
C32 C33 H33A 120.6 . .
C34 C33 H33A 120.6 . .
C33 C34 C29 121.18(18) . .
C33 C34 H34A 119.4 . .
C29 C34 H34A 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C26 1.743(2) .
Cl2 C32 1.744(2) .
S1 C4 1.735(2) .
S1 C1 1.748(2) .
S2 C7 1.743(2) .
S2 C10 1.744(2) .
S3 C15 1.742(2) .
S3 C12 1.747(2) .
S4 C18 1.743(2) .
S4 C21 1.751(2) .
C1 C22 1.410(3) .
C1 C2 1.415(3) .
C2 C3 1.363(3) .
C2 H2A 0.9500 .
C3 C4 1.408(3) .
C3 H3A 0.9500 .
C4 C5 1.404(3) .
C5 C6 1.381(3) .
C5 H5A 0.9500 .
C6 C7 1.410(3) .
C6 H6A 0.9500 .
C7 C8 1.401(3) .
C8 C9 1.373(3) .
C8 H8A 0.9500 .
C9 C10 1.407(3) .
C9 H9A 0.9500 .
C10 C11 1.411(3) .
C11 C12 1.400(3) .
C11 C23 1.493(3) .
C12 C13 1.417(3) .
C13 C14 1.367(3) .
C13 H13A 0.9500 .
C14 C15 1.408(3) .
C14 H14A 0.9500 .
C15 C16 1.401(3) .
C16 C17 1.386(3) .
C16 H16A 0.9500 .
C17 C18 1.404(3) .
C17 H17A 0.9500 .
C18 C19 1.410(3) .
C19 C20 1.371(3) .
C19 H19A 0.9500 .
C20 C21 1.411(3) .
C20 H20A 0.9500 .
C21 C22 1.410(3) .
C22 C29 1.489(3) .
C23 C24 1.392(3) .
C23 C28 1.395(3) .
C24 C25 1.391(3) .
C24 H24A 0.9500 .
C25 C26 1.376(3) .
C25 H25A 0.9500 .
C26 C27 1.381(3) .
C27 C28 1.385(3) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C30 1.394(3) .
C29 C34 1.402(3) .
C30 C31 1.381(3) .
C30 H30A 0.9500 .
C31 C32 1.382(3) .
C31 H31A 0.9500 .
C32 C33 1.380(3) .
C33 C34 1.387(3) .
C33 H33A 0.9500 .
C34 H34A 0.9500 .
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
C4 S1 C1 C22 -175.31(19) . . . .
C4 S1 C1 C2 2.04(17) . . . .
C22 C1 C2 C3 175.0(2) . . . .
S1 C1 C2 C3 -2.2(2) . . . .
C1 C2 C3 C4 1.2(3) . . . .
C2 C3 C4 C5 -179.1(2) . . . .
C2 C3 C4 S1 0.4(3) . . . .
C1 S1 C4 C5 178.0(2) . . . .
C1 S1 C4 C3 -1.40(17) . . . .
C3 C4 C5 C6 -173.1(2) . . . .
S1 C4 C5 C6 7.6(4) . . . .
C4 C5 C6 C7 9.4(5) . . . .
C5 C6 C7 C8 175.4(2) . . . .
C5 C6 C7 S2 -2.0(4) . . . .
C10 S2 C7 C8 0.00(16) . . . .
C10 S2 C7 C6 177.7(2) . . . .
C6 C7 C8 C9 -178.0(2) . . . .
S2 C7 C8 C9 -0.1(2) . . . .
C7 C8 C9 C10 0.2(3) . . . .
C8 C9 C10 C11 -179.9(2) . . . .
C8 C9 C10 S2 -0.2(2) . . . .
C7 S2 C10 C9 0.09(16) . . . .
C7 S2 C10 C11 179.86(19) . . . .
C9 C10 C11 C12 174.1(2) . . . .
S2 C10 C11 C12 -5.7(3) . . . .
C9 C10 C11 C23 -5.2(3) . . . .
S2 C10 C11 C23 175.06(15) . . . .
C10 C11 C12 C13 170.1(2) . . . .
C23 C11 C12 C13 -10.7(3) . . . .
C10 C11 C12 S3 -9.6(3) . . . .
C23 C11 C12 S3 169.68(15) . . . .
C15 S3 C12 C11 179.01(19) . . . .
C15 S3 C12 C13 -0.69(16) . . . .
C11 C12 C13 C14 -179.2(2) . . . .
S3 C12 C13 C14 0.5(2) . . . .
C12 C13 C14 C15 0.1(3) . . . .
C13 C14 C15 C16 -176.9(2) . . . .
C13 C14 C15 S3 -0.6(2) . . . .
C12 S3 C15 C16 176.8(2) . . . .
C12 S3 C15 C14 0.73(16) . . . .
C14 C15 C16 C17 -178.8(2) . . . .
S3 C15 C16 C17 5.7(4) . . . .
C15 C16 C17 C18 10.8(5) . . . .
C16 C17 C18 C19 -177.9(2) . . . .
C16 C17 C18 S4 5.5(4) . . . .
C21 S4 C18 C17 177.0(2) . . . .
C21 S4 C18 C19 0.01(16) . . . .
C17 C18 C19 C20 -177.9(2) . . . .
S4 C18 C19 C20 -0.7(2) . . . .
C18 C19 C20 C21 1.3(3) . . . .
C19 C20 C21 C22 177.6(2) . . . .
C19 C20 C21 S4 -1.2(2) . . . .
C18 S4 C21 C22 -178.17(19) . . . .
C18 S4 C21 C20 0.65(16) . . . .
C20 C21 C22 C1 168.9(2) . . . .
S4 C21 C22 C1 -12.5(3) . . . .
C20 C21 C22 C29 -11.6(3) . . . .
S4 C21 C22 C29 166.99(15) . . . .
C2 C1 C22 C21 171.2(2) . . . .
S1 C1 C22 C21 -12.0(3) . . . .
C2 C1 C22 C29 -8.3(3) . . . .
S1 C1 C22 C29 168.59(15) . . . .
C12 C11 C23 C24 114.2(2) . . . .
C10 C11 C23 C24 -66.5(3) . . . .
C12 C11 C23 C28 -68.1(2) . . . .
C10 C11 C23 C28 111.2(2) . . . .
C28 C23 C24 C25 -0.3(3) . . . .
C11 C23 C24 C25 177.5(2) . . . .
C23 C24 C25 C26 -0.6(3) . . . .
C24 C25 C26 C27 1.1(3) . . . .
C24 C25 C26 Cl1 -177.51(17) . . . .
C25 C26 C27 C28 -0.7(3) . . . .
Cl1 C26 C27 C28 177.97(15) . . . .
C26 C27 C28 C23 -0.3(3) . . . .
C24 C23 C28 C27 0.7(3) . . . .
C11 C23 C28 C27 -177.07(18) . . . .
C21 C22 C29 C30 -51.2(3) . . . .
C1 C22 C29 C30 128.3(2) . . . .
C21 C22 C29 C34 128.1(2) . . . .
C1 C22 C29 C34 -52.4(3) . . . .
C34 C29 C30 C31 1.7(3) . . . .
C22 C29 C30 C31 -178.9(2) . . . .
C29 C30 C31 C32 -0.3(3) . . . .
C30 C31 C32 C33 -1.2(3) . . . .
C30 C31 C32 Cl2 178.90(16) . . . .
C31 C32 C33 C34 1.0(3) . . . .
Cl2 C32 C33 C34 -179.05(16) . . . .
C32 C33 C34 C29 0.5(3) . . . .
C30 C29 C34 C33 -1.9(3) . . . .
C22 C29 C34 C33 178.77(19) . . . .
