#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/54/1505457.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_1505457
loop_
_publ_author_name
'Park, Jong-Hwa'
'Chung, Dae Sung'
'Park, Jong-Won'
'Ahn, Taek'
'Kong, Hoyoul'
'Jung, Young Kwan'
'Lee, Jonghee'
'Yi, Mi Hye'
'Park, Chan Eon'
'Kwon, Soon-Ki'
'Shim, Hong-Ku'
_publ_section_title
;
 Soluble and easily crystallized anthracene derivatives: precursors of
 solution-processable semiconducting molecules.
;
_journal_issue                   13
_journal_name_full               'Organic letters'
_journal_page_first              2573
_journal_page_last               2576
_journal_paper_doi               10.1021/ol071135d
_journal_volume                  9
_journal_year                    2007
_chemical_formula_sum            'C56 H78 S2 Si2'
_chemical_formula_weight         871.48
_chemical_melting_point          191
_chemical_name_common            TIPSAntHT
_chemical_name_systematic
; 
 2,6-bis(5'-hexyl-thiophene-2'-yl)-9,10-bis(triisopropylsilylethynyl)anthracene
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.7430(10)
_cell_angle_beta                 90.7780(10)
_cell_angle_gamma                101.2840(10)
_cell_formula_units_Z            1
_cell_length_a                   8.17590(10)
_cell_length_b                   11.7520(2)
_cell_length_c                   14.6138(3)
_cell_measurement_reflns_used    4031
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1346.09(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26947
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_T_max  0.9843
_exptl_absorpt_correction_T_min  0.9327
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             474
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         6698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1653
_refine_ls_R_factor_gt           0.0935
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2938
_refine_ls_wR_factor_ref         0.3542
_reflns_number_gt                3130
_reflns_number_total             6698
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol071135dsi20070516_041452.cif
_cod_data_source_block           p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1505457
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
S S 0.69274(14) 0.65872(10) 0.38747(7) 0.0866(4) Uani 1 1 d .
Si Si 0.20377(14) 0.31688(10) 0.12283(7) 0.0785(4) Uani 1 1 d .
C1 C 0.0508(4) 0.4548(3) 0.4103(2) 0.0603(8) Uani 1 1 d .
C2 C 0.1662(4) 0.5374(3) 0.4750(2) 0.0591(8) Uani 1 1 d .
C3 C 0.3342(4) 0.5772(3) 0.4522(2) 0.0628(9) Uani 1 1 d .
H3A H 0.3674 0.5477 0.3929 0.075 Uiso 1 1 calc R
C4 C 0.4476(5) 0.6576(3) 0.5147(3) 0.0695(9) Uani 1 1 d .
C5 C 0.3941(5) 0.7011(4) 0.6062(3) 0.0809(11) Uani 1 1 d .
H5A H 0.4700 0.7551 0.6499 0.097 Uiso 1 1 calc R
C6 C 0.2369(5) 0.6656(3) 0.6303(2) 0.0749(10) Uani 1 1 d .
H6A H 0.2064 0.6955 0.6902 0.090 Uiso 1 1 calc R
C7 C 0.1153(4) 0.5823(3) 0.5651(2) 0.0590(8) Uani 1 1 d .
C8 C 0.0991(5) 0.4087(3) 0.3178(2) 0.0670(9) Uani 1 1 d .
C9 C 0.1391(5) 0.3703(3) 0.2417(2) 0.0751(10) Uani 1 1 d .
C10 C 0.3770(7) 0.4355(5) 0.0997(3) 0.1189(19) Uani 1 1 d .
H10A H 0.4072 0.4110 0.0351 0.143 Uiso 1 1 calc R
C11 C 0.3263(12) 0.5529(6) 0.1081(6) 0.214(5) Uani 1 1 d .
H11A H 0.4190 0.6105 0.0954 0.321 Uiso 1 1 calc R
H11B H 0.2926 0.5783 0.1704 0.321 Uiso 1 1 calc R
H11C H 0.2347 0.5450 0.0639 0.321 Uiso 1 1 calc R
C12 C 0.5324(10) 0.4488(9) 0.1633(5) 0.212(5) Uani 1 1 d .
H12A H 0.6189 0.5099 0.1494 0.318 Uiso 1 1 calc R
H12B H 0.5702 0.3751 0.1528 0.318 Uiso 1 1 calc R
H12C H 0.5057 0.4698 0.2275 0.318 Uiso 1 1 calc R
C13 C 0.2816(9) 0.1781(5) 0.1226(5) 0.141(2) Uani 1 1 d .
H13A H 0.3813 0.2091 0.1651 0.170 Uiso 1 1 calc R
C14 C 0.3597(10) 0.1299(6) 0.0329(5) 0.164(3) Uani 1 1 d .
H14A H 0.3989 0.0598 0.0391 0.247 Uiso 1 1 calc R
H14B H 0.4519 0.1888 0.0214 0.247 Uiso 1 1 calc R
H14C H 0.2778 0.1106 -0.0185 0.247 Uiso 1 1 calc R
C15 C 0.1906(13) 0.0904(7) 0.1693(6) 0.206(4) Uani 1 1 d .
H15A H 0.2480 0.0258 0.1649 0.308 Uiso 1 1 calc R
H15B H 0.0804 0.0613 0.1400 0.308 Uiso 1 1 calc R
H15C H 0.1828 0.1258 0.2339 0.308 Uiso 1 1 calc R
C16 C 0.0209(8) 0.3022(7) 0.0398(4) 0.146(2) Uani 1 1 d .
H16A H 0.0022 0.3836 0.0504 0.175 Uiso 1 1 calc R
C17 C 0.0618(9) 0.2786(8) -0.0637(3) 0.174(3) Uani 1 1 d .
H17A H -0.0362 0.2749 -0.1020 0.262 Uiso 1 1 calc R
H17B H 0.0983 0.2045 -0.0796 0.262 Uiso 1 1 calc R
H17C H 0.1489 0.3415 -0.0743 0.262 Uiso 1 1 calc R
C18 C -0.1334(10) 0.2387(11) 0.0562(6) 0.219(5) Uani 1 1 d .
H18A H -0.2145 0.2415 0.0090 0.328 Uiso 1 1 calc R
H18B H -0.1665 0.2729 0.1167 0.328 Uiso 1 1 calc R
H18C H -0.1261 0.1577 0.0541 0.328 Uiso 1 1 calc R
C19 C 0.6215(5) 0.7030(3) 0.4940(3) 0.0760(10) Uani 1 1 d .
C20 C 0.7528(4) 0.7860(3) 0.5437(2) 0.0595(8) Uani 1 1 d .
H20A H 0.7386 0.8267 0.6037 0.071 Uiso 1 1 calc R
C21 C 0.8960(6) 0.8072(5) 0.5064(4) 0.1046(15) Uani 1 1 d .
H21A H 0.9912 0.8579 0.5374 0.125 Uiso 1 1 calc R
C22 C 0.8891(5) 0.7477(4) 0.4190(3) 0.0865(12) Uani 1 1 d .
C23 C 1.0196(5) 0.7478(4) 0.3477(3) 0.0929(13) Uani 1 1 d .
H23A H 0.9751 0.7660 0.2918 0.111 Uiso 1 1 calc R
H23B H 1.0435 0.6687 0.3308 0.111 Uiso 1 1 calc R
C24 C 1.1833(5) 0.8368(4) 0.3816(3) 0.0845(11) Uani 1 1 d .
H24A H 1.1607 0.9163 0.3970 0.101 Uiso 1 1 calc R
H24B H 1.2277 0.8197 0.4381 0.101 Uiso 1 1 calc R
C25 C 1.3127(6) 0.8317(5) 0.3080(4) 0.1150(17) Uani 1 1 d .
H25A H 1.3343 0.7519 0.2932 0.138 Uiso 1 1 calc R
H25B H 1.2660 0.8471 0.2514 0.138 Uiso 1 1 calc R
C26 C 1.4741(6) 0.9165(4) 0.3353(4) 0.1056(15) Uani 1 1 d .
H26A H 1.5209 0.9011 0.3919 0.127 Uiso 1 1 calc R
H26B H 1.4526 0.9963 0.3501 0.127 Uiso 1 1 calc R
C27 C 1.6030(8) 0.9114(7) 0.2620(6) 0.164(3) Uani 1 1 d .
H27A H 1.6178 0.8300 0.2449 0.196 Uiso 1 1 calc R
H27C H 1.5563 0.9300 0.2067 0.196 Uiso 1 1 calc R
C28 C 1.7628(9) 0.9849(7) 0.2836(7) 0.192(4) Uani 1 1 d .
H28D H 1.8319 0.9698 0.2318 0.288 Uiso 1 1 calc R
H28A H 1.8123 0.9683 0.3381 0.288 Uiso 1 1 calc R
H28B H 1.7528 1.0666 0.2957 0.288 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'
Si Si 0.0817 0.0704 '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
C19 S C22 92.5(2) . .
C9 Si C13 107.8(2) . .
C9 Si C10 106.43(19) . .
C13 Si C10 110.2(3) . .
C9 Si C16 107.1(2) . .
C13 Si C16 115.8(4) . .
C10 Si C16 109.1(3) . .
C2 C1 C7 120.2(3) . 2_566
C2 C1 C8 120.4(3) . .
C7 C1 C8 119.4(3) 2_566 .
C1 C2 C7 119.3(3) . .
C1 C2 C3 121.6(3) . .
C7 C2 C3 119.1(3) . .
C4 C3 C2 122.0(3) . .
C4 C3 H3A 119.0 . .
C2 C3 H3A 119.0 . .
C3 C4 C5 118.0(3) . .
C3 C4 C19 124.1(3) . .
C5 C4 C19 117.8(4) . .
C6 C5 C4 121.6(4) . .
C6 C5 H5A 119.2 . .
C4 C5 H5A 119.2 . .
C5 C6 C7 121.1(3) . .
C5 C6 H6A 119.4 . .
C7 C6 H6A 119.4 . .
C2 C7 C1 120.5(3) . 2_566
C2 C7 C6 118.1(3) . .
C1 C7 C6 121.5(3) 2_566 .
C9 C8 C1 179.7(4) . .
C8 C9 Si 177.7(3) . .
C11 C10 C12 110.1(6) . .
C11 C10 Si 112.7(5) . .
C12 C10 Si 111.6(4) . .
C11 C10 H10A 107.4 . .
C12 C10 H10A 107.4 . .
Si C10 H10A 107.4 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C15 C13 C14 115.8(5) . .
C15 C13 Si 119.3(5) . .
C14 C13 Si 114.7(5) . .
C15 C13 H13A 100.7 . .
C14 C13 H13A 100.7 . .
Si C13 H13A 100.7 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C18 C16 C17 113.2(7) . .
C18 C16 Si 119.4(6) . .
C17 C16 Si 114.0(4) . .
C18 C16 H16A 102.4 . .
C17 C16 H16A 102.4 . .
Si C16 H16A 102.4 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 C4 134.0(4) . .
C20 C19 S 105.2(3) . .
C4 C19 S 120.8(3) . .
C21 C20 C19 120.0(4) . .
C21 C20 H20A 120.0 . .
C19 C20 H20A 120.0 . .
C20 C21 C22 111.4(4) . .
C20 C21 H21A 124.3 . .
C22 C21 H21A 124.3 . .
C21 C22 C23 130.4(5) . .
C21 C22 S 110.8(3) . .
C23 C22 S 118.8(4) . .
C22 C23 C24 113.8(4) . .
C22 C23 H23A 108.8 . .
C24 C23 H23A 108.8 . .
C22 C23 H23B 108.8 . .
C24 C23 H23B 108.8 . .
H23A C23 H23B 107.7 . .
C25 C24 C23 111.9(4) . .
C25 C24 H24A 109.2 . .
C23 C24 H24A 109.2 . .
C25 C24 H24B 109.2 . .
C23 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C26 C25 C24 115.0(4) . .
C26 C25 H25A 108.5 . .
C24 C25 H25A 108.5 . .
C26 C25 H25B 108.5 . .
C24 C25 H25B 108.5 . .
H25A C25 H25B 107.5 . .
C25 C26 C27 115.0(5) . .
C25 C26 H26A 108.5 . .
C27 C26 H26A 108.5 . .
C25 C26 H26B 108.5 . .
C27 C26 H26B 108.5 . .
H26A C26 H26B 107.5 . .
C28 C27 C26 118.9(7) . .
C28 C27 H27A 107.6 . .
C26 C27 H27A 107.6 . .
C28 C27 H27C 107.6 . .
C26 C27 H27C 107.6 . .
H27A C27 H27C 107.0 . .
C27 C28 H28D 109.5 . .
C27 C28 H28A 109.5 . .
H28D C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28D C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S C19 1.688(4) .
S C22 1.735(5) .
Si C9 1.845(3) .
Si C13 1.862(6) .
Si C10 1.869(5) .
Si C16 1.871(6) .
C1 C2 1.403(5) .
C1 C7 1.417(5) 2_566
C1 C8 1.442(4) .
C2 C7 1.416(4) .
C2 C3 1.429(5) .
C3 C4 1.367(5) .
C3 H3A 0.9300 .
C4 C5 1.438(5) .
C4 C19 1.476(5) .
C5 C6 1.346(5) .
C5 H5A 0.9300 .
C6 C7 1.439(5) .
C6 H6A 0.9300 .
C7 C1 1.417(5) 2_566
C8 C9 1.187(4) .
C10 C11 1.499(9) .
C10 C12 1.528(10) .
C10 H10A 0.9800 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C15 1.442(8) .
C13 C14 1.520(7) .
C13 H13A 0.9800 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C18 1.385(10) .
C16 C17 1.535(7) .
C16 H16A 0.9800 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.382(5) .
C20 C21 1.299(6) .
C20 H20A 0.9300 .
C21 C22 1.321(6) .
C21 H21A 0.9300 .
C22 C23 1.501(5) .
C23 C24 1.534(6) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.520(6) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.484(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.514(7) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.410(9) .
C27 H27A 0.9700 .
C27 H27C 0.9700 .
C28 H28D 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
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_4
C7 C1 C2 C7 0.6(5) 2_566 .
C8 C1 C2 C7 179.3(3) . .
C7 C1 C2 C3 -179.5(3) 2_566 .
C8 C1 C2 C3 -0.7(5) . .
C1 C2 C3 C4 -179.9(3) . .
C7 C2 C3 C4 0.0(5) . .
C2 C3 C4 C5 0.7(5) . .
C2 C3 C4 C19 -179.0(3) . .
C3 C4 C5 C6 -0.7(6) . .
C19 C4 C5 C6 179.0(4) . .
C4 C5 C6 C7 0.0(6) . .
C1 C2 C7 C1 -0.6(5) . 2_566
C3 C2 C7 C1 179.5(3) . 2_566
C1 C2 C7 C6 179.2(3) . .
C3 C2 C7 C6 -0.7(5) . .
C5 C6 C7 C2 0.7(5) . .
C5 C6 C7 C1 -179.5(3) . 2_566
C9 Si C10 C11 -57.9(5) . .
C13 Si C10 C11 -174.5(5) . .
C16 Si C10 C11 57.4(5) . .
C9 Si C10 C12 66.7(5) . .
C13 Si C10 C12 -50.0(5) . .
C16 Si C10 C12 -178.1(5) . .
C9 Si C13 C15 43.1(7) . .
C10 Si C13 C15 158.8(6) . .
C16 Si C13 C15 -76.8(7) . .
C9 Si C13 C14 -173.0(5) . .
C10 Si C13 C14 -57.2(6) . .
C16 Si C13 C14 67.1(6) . .
C9 Si C16 C18 -51.4(8) . .
C13 Si C16 C18 68.8(8) . .
C10 Si C16 C18 -166.3(7) . .
C9 Si C16 C17 170.3(5) . .
C13 Si C16 C17 -69.4(7) . .
C10 Si C16 C17 55.5(6) . .
C3 C4 C19 C20 176.8(4) . .
C5 C4 C19 C20 -2.9(6) . .
C3 C4 C19 S 1.1(5) . .
C5 C4 C19 S -178.6(3) . .
C22 S C19 C20 2.3(3) . .
C22 S C19 C4 179.1(3) . .
C4 C19 C20 C21 179.5(4) . .
S C19 C20 C21 -4.4(5) . .
C19 C20 C21 C22 4.5(6) . .
C20 C21 C22 C23 177.2(4) . .
C20 C21 C22 S -2.2(5) . .
C19 S C22 C21 -0.2(4) . .
C19 S C22 C23 -179.7(3) . .
C21 C22 C23 C24 -3.7(7) . .
S C22 C23 C24 175.7(3) . .
C22 C23 C24 C25 178.8(4) . .
C23 C24 C25 C26 179.3(4) . .
C24 C25 C26 C27 180.0(5) . .
C25 C26 C27 C28 -177.0(7) . .
