#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:16:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180497 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/66/7216600.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_7216600
loop_
_publ_author_name
'Lai, Chian Sing'
'Lim, Yu Xian'
'Yap, Timothy C.'
'Tiekink, Edward R. T.'
_publ_section_title
;
 Molecular paving with zinc thiolates
;
_journal_issue                   99
_journal_name_full               CrystEngComm
_journal_page_first              596
_journal_paper_doi               10.1039/b210187d
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C8 H14 O2 S4 Zn'
_chemical_formula_weight         335.80
_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                101.068(1)
_cell_angle_beta                 102.869(1)
_cell_angle_gamma                105.546(1)
_cell_formula_units_Z            6
_cell_length_a                   9.6113(6)
_cell_length_b                   15.4223(11)
_cell_length_c                   15.8657(11)
_cell_measurement_temperature    178(2)
_cell_volume                     2128.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'PATTY in DIRDIF92 (Beurskens et al., 1992)'
_diffrn_ambient_temperature      178(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker AXS SMART CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.071
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17657
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         1.4
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.299
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.13
_refine_diff_density_min         -0.52
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         12132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.079
_refine_ls_R_factor_gt           0.051
_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)+(0.0658P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.114
_refine_ls_wR_factor_ref         0.137
_reflns_number_gt                8512
_reflns_number_total             12132
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b210187d.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        2128.0(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216600
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
Zn1 Zn 0.17402(5) 0.44779(3) 0.24580(3) 0.02284(10) Uani 1 1 d .
Zn2 Zn 0.65166(5) 0.73386(3) 0.50832(3) 0.02728(11) Uani 1 1 d .
Zn3 Zn -0.31143(5) 0.28279(3) -0.05018(3) 0.02915(11) Uani 1 1 d .
S1 S 0.14647(10) 0.58390(7) 0.32394(6) 0.0289(2) Uani 1 1 d .
S2 S 0.45674(11) 0.59841(7) 0.42866(7) 0.0311(2) Uani 1 1 d .
S3 S -0.03623(10) 0.37544(7) 0.11976(6) 0.0285(2) Uani 1 1 d .
S4 S -0.36838(10) 0.32326(7) 0.08487(6) 0.0312(2) Uani 1 1 d .
S5 S 0.38083(11) 0.47708(7) 0.18642(7) 0.0326(2) Uani 1 1 d .
S6 S 0.21692(11) 0.59747(8) 0.11034(8) 0.0360(2) Uani 1 1 d .
S7 S 0.22740(12) 0.36365(7) 0.35062(6) 0.0298(2) Uani 1 1 d .
S8 S 0.34284(12) 0.20245(7) 0.34420(7) 0.0339(2) Uani 1 1 d .
S9 S 0.89275(12) 0.75560(8) 0.48633(9) 0.0425(3) Uani 1 1 d .
S10 S 0.67842(12) 0.85331(8) 0.42909(8) 0.0369(2) Uani 1 1 d .
S11 S -0.21749(13) 0.15561(8) -0.05899(8) 0.0405(3) Uani 1 1 d .
S12 S -0.52230(13) 0.15166(8) -0.15010(8) 0.0442(3) Uani 1 1 d .
O1 O 0.3513(3) 0.73443(17) 0.43687(17) 0.0274(5) Uani 1 1 d .
O2 O -0.1662(3) 0.3999(2) 0.24278(17) 0.0317(6) Uani 1 1 d .
O3 O 0.4844(3) 0.6074(2) 0.1093(2) 0.0365(7) Uani 1 1 d .
O4 O 0.2353(3) 0.25978(19) 0.20549(17) 0.0325(6) Uani 1 1 d .
O5 O 0.9475(3) 0.8840(2) 0.4039(2) 0.0446(8) Uani 1 1 d .
O6 O -0.4242(4) 0.0053(2) -0.1538(2) 0.0536(9) Uani 1 1 d .
C1 C 0.3178(4) 0.6452(3) 0.3973(2) 0.0241(7) Uani 1 1 d .
C2 C 0.2475(5) 0.7855(3) 0.4082(3) 0.0347(9) Uani 1 1 d .
H2A H 0.1497 0.7594 0.4195 0.072(3) Uiso 1 1 calc R
H2B H 0.2291 0.7809 0.3433 0.072(3) Uiso 1 1 calc R
C3 C 0.3223(5) 0.8844(3) 0.4618(3) 0.0366(9) Uani 1 1 d .
H3A H 0.2594 0.9220 0.4413 0.072(3) Uiso 1 1 calc R
H3B H 0.4208 0.9085 0.4504 0.072(3) Uiso 1 1 calc R
C4 C 0.3480(5) 0.8976(3) 0.5617(3) 0.0442(11) Uani 1 1 d .
H4A H 0.3979 0.9640 0.5931 0.090(3) Uiso 1 1 calc R
H4B H 0.4120 0.8617 0.5829 0.090(3) Uiso 1 1 calc R
H4C H 0.2508 0.8758 0.5739 0.090(3) Uiso 1 1 calc R
C5 C -0.1901(4) 0.3685(3) 0.1559(2) 0.0241(7) Uani 1 1 d .
C6 C -0.2942(5) 0.3953(4) 0.2792(3) 0.0489(13) Uani 1 1 d .
H6A H -0.3575 0.3294 0.2673 0.072(3) Uiso 1 1 calc R
H6B H -0.3573 0.4292 0.2511 0.072(3) Uiso 1 1 calc R
C7 C -0.2302(6) 0.4401(5) 0.3797(3) 0.0625(16) Uani 1 1 d .
H7A H -0.1592 0.5038 0.3912 0.072(3) Uiso 1 1 calc R
H7B H -0.3129 0.4453 0.4060 0.072(3) Uiso 1 1 calc R
C8 C -0.1485(7) 0.3810(5) 0.4231(4) 0.0659(16) Uani 1 1 d .
H8A H -0.1070 0.4100 0.4878 0.090(3) Uiso 1 1 calc R
H8B H -0.0663 0.3765 0.3972 0.090(3) Uiso 1 1 calc R
H8C H -0.2195 0.3183 0.4121 0.090(3) Uiso 1 1 calc R
C9 C 0.3703(4) 0.5635(3) 0.1357(3) 0.0279(8) Uani 1 1 d .
C10 C 0.6261(5) 0.5881(4) 0.1300(4) 0.0460(12) Uani 1 1 d .
H10A H 0.6110 0.5218 0.1020 0.072(3) Uiso 1 1 calc R
H10B H 0.6694 0.6015 0.1957 0.072(3) Uiso 1 1 calc R
C11 C 0.7295(5) 0.6519(4) 0.0917(4) 0.0535(13) Uani 1 1 d .
H11A H 0.7435 0.7178 0.1204 0.072(3) Uiso 1 1 calc R
H11B H 0.6827 0.6393 0.0265 0.072(3) Uiso 1 1 calc R
C12 C 0.8816(6) 0.6366(5) 0.1078(5) 0.0730(18) Uani 1 1 d .
H12A H 0.9471 0.6787 0.0830 0.090(3) Uiso 1 1 calc R
H12B H 0.8679 0.5717 0.0783 0.090(3) Uiso 1 1 calc R
H12C H 0.9282 0.6496 0.1724 0.090(3) Uiso 1 1 calc R
C13 C 0.2660(4) 0.2725(3) 0.2933(2) 0.0270(8) Uani 1 1 d .
C14 C 0.2602(6) 0.1825(3) 0.1505(3) 0.0430(11) Uani 1 1 d .
H14A H 0.3697 0.1943 0.1603 0.072(3) Uiso 1 1 calc R
H14B H 0.2178 0.1244 0.1671 0.072(3) Uiso 1 1 calc R
C15 C 0.1865(7) 0.1723(4) 0.0563(3) 0.0607(15) Uani 1 1 d .
H15A H 0.2315 0.2301 0.0399 0.072(3) Uiso 1 1 calc R
H15B H 0.0779 0.1636 0.0478 0.072(3) Uiso 1 1 calc R
C16 C 0.2037(8) 0.0895(4) -0.0048(3) 0.0746(19) Uani 1 1 d .
H16A H 0.1533 0.0843 -0.0673 0.090(3) Uiso 1 1 calc R
H16B H 0.1579 0.0322 0.0108 0.090(3) Uiso 1 1 calc R
H16C H 0.3111 0.0987 0.0028 0.090(3) Uiso 1 1 calc R
C17 C 0.8457(4) 0.8369(3) 0.4361(3) 0.0342(9) Uani 1 1 d .
C18 C 0.9151(5) 0.9544(3) 0.3600(4) 0.0485(12) Uani 1 1 d .
H18A H 0.9037 1.0054 0.4036 0.072(3) Uiso 1 1 calc R
H18B H 0.8200 0.9261 0.3104 0.072(3) Uiso 1 1 calc R
C19 C 1.0417(6) 0.9916(4) 0.3248(4) 0.0613(15) Uani 1 1 d .
H19A H 1.1365 1.0166 0.3748 0.072(3) Uiso 1 1 calc R
H19B H 1.0265 1.0442 0.3008 0.072(3) Uiso 1 1 calc R
C20 C 1.0585(9) 0.9197(6) 0.2518(4) 0.092(2) Uani 1 1 d .
H20A H 1.1443 0.9486 0.2314 0.090(3) Uiso 1 1 calc R
H20B H 0.9662 0.8959 0.2012 0.090(3) Uiso 1 1 calc R
H20C H 1.0758 0.8680 0.2753 0.090(3) Uiso 1 1 calc R
C21 C -0.3959(5) 0.0955(3) -0.1246(3) 0.0404(10) Uani 1 1 d .
C22 C -0.5754(7) -0.0540(4) -0.2056(4) 0.0605(14) Uani 1 1 d .
H22A H -0.5704 -0.1080 -0.2486 0.072(3) Uiso 1 1 calc R
H22B H -0.6261 -0.0185 -0.2404 0.072(3) Uiso 1 1 calc R
C23 C -0.6637(6) -0.0875(4) -0.1469(4) 0.0637(15) Uani 1 1 d .
H23A H -0.6699 -0.0335 -0.1044 0.072(3) Uiso 1 1 calc R
H23B H -0.6127 -0.1225 -0.1116 0.072(3) Uiso 1 1 calc R
C24 C -0.8254(7) -0.1520(5) -0.2034(5) 0.091(2) Uani 1 1 d .
H24A H -0.8824 -0.1744 -0.1634 0.090(3) Uiso 1 1 calc R
H24B H -0.8190 -0.2055 -0.2453 0.090(3) Uiso 1 1 calc R
H24C H -0.8766 -0.1169 -0.2372 0.090(3) 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'
Zn Zn 0.2839 1.4301 '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
S1 Zn1 S3 108.33(4) . .
S1 Zn1 S7 106.77(4) . .
S3 Zn1 S7 118.61(4) . .
S1 Zn1 S5 113.14(4) . .
S3 Zn1 S5 104.34(4) . .
S7 Zn1 S5 105.83(4) . .
S2 Zn2 S8 116.64(4) . 2_666
S2 Zn2 S9 119.56(5) . .
S8 Zn2 S9 114.19(5) 2_666 .
S2 Zn2 S10 113.12(4) . .
S8 Zn2 S10 109.90(4) 2_666 .
S9 Zn2 S10 76.23(4) . .
S6 Zn3 S4 117.22(4) 2_565 .
S6 Zn3 S11 120.07(4) 2_565 .
S4 Zn3 S11 112.12(4) . .
S6 Zn3 S12 116.48(4) 2_565 .
S4 Zn3 S12 107.60(4) . .
S11 Zn3 S12 75.96(4) . .
C1 S1 Zn1 105.47(13) . .
C1 S2 Zn2 99.24(13) . .
C5 S3 Zn1 106.85(13) . .
C5 S4 Zn3 99.05(13) . .
C9 S5 Zn1 106.05(13) . .
C9 S6 Zn3 99.20(13) . 2_565
C13 S7 Zn1 104.74(13) . .
C13 S8 Zn2 99.12(14) . 2_666
C17 S9 Zn2 81.84(14) . .
C17 S10 Zn2 81.13(14) . .
C21 S11 Zn3 82.48(17) . .
C21 S12 Zn3 80.74(15) . .
C1 O1 C2 120.1(3) . .
C5 O2 C6 119.8(3) . .
C9 O3 C10 120.6(3) . .
C13 O4 C14 120.2(3) . .
C17 O5 C18 119.1(3) . .
C21 O6 C22 119.7(4) . .
O1 C1 S1 120.8(3) . .
O1 C1 S2 115.0(3) . .
S1 C1 S2 124.2(2) . .
O1 C2 C3 106.4(3) . .
O1 C2 H2A 110.4 . .
C3 C2 H2A 110.4 . .
O1 C2 H2B 110.4 . .
C3 C2 H2B 110.4 . .
H2A C2 H2B 108.6 . .
C2 C3 C4 113.6(4) . .
C2 C3 H3A 108.9 . .
C4 C3 H3A 108.9 . .
C2 C3 H3B 108.9 . .
C4 C3 H3B 108.9 . .
H3A C3 H3B 107.7 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O2 C5 S3 116.7(3) . .
O2 C5 S4 120.9(3) . .
S3 C5 S4 122.5(2) . .
O2 C6 C7 107.2(4) . .
O2 C6 H6A 110.3 . .
C7 C6 H6A 110.3 . .
O2 C6 H6B 110.3 . .
C7 C6 H6B 110.3 . .
H6A C6 H6B 108.5 . .
C8 C7 C6 109.4(5) . .
C8 C7 H7A 109.8 . .
C6 C7 H7A 109.8 . .
C8 C7 H7B 109.8 . .
C6 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C9 S5 120.9(3) . .
O3 C9 S6 114.5(3) . .
S5 C9 S6 124.5(2) . .
O3 C10 C11 105.7(4) . .
O3 C10 H10A 110.6 . .
C11 C10 H10A 110.6 . .
O3 C10 H10B 110.6 . .
C11 C10 H10B 110.6 . .
H10A C10 H10B 108.7 . .
C10 C11 C12 110.6(4) . .
C10 C11 H11A 109.5 . .
C12 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O4 C13 S7 116.1(3) . .
O4 C13 S8 121.1(3) . .
S7 C13 S8 122.8(2) . .
C15 C14 O4 108.7(4) . .
C15 C14 H14A 109.9 . .
O4 C14 H14A 109.9 . .
C15 C14 H14B 109.9 . .
O4 C14 H14B 109.9 . .
H14A C14 H14B 108.3 . .
C14 C15 C16 111.2(4) . .
C14 C15 H15A 109.4 . .
C16 C15 H15A 109.4 . .
C14 C15 H15B 109.4 . .
C16 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O5 C17 S10 123.1(3) . .
O5 C17 S9 116.1(3) . .
S10 C17 S9 120.8(2) . .
O5 C18 C19 108.1(4) . .
O5 C18 H18A 110.1 . .
C19 C18 H18A 110.1 . .
O5 C18 H18B 110.1 . .
C19 C18 H18B 110.1 . .
H18A C18 H18B 108.4 . .
C18 C19 C20 113.5(5) . .
C18 C19 H19A 108.9 . .
C20 C19 H19A 108.9 . .
C18 C19 H19B 108.9 . .
C20 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O6 C21 S11 114.8(4) . .
O6 C21 S12 124.5(4) . .
S11 C21 S12 120.7(3) . .
O6 C22 C23 110.9(5) . .
O6 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
O6 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.0 . .
C22 C23 C24 110.4(5) . .
C22 C23 H23A 109.6 . .
C24 C23 H23A 109.6 . .
C22 C23 H23B 109.6 . .
C24 C23 H23B 109.6 . .
H23A C23 H23B 108.1 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 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
Zn1 S1 2.3362(10) .
Zn1 S3 2.3371(10) .
Zn1 S7 2.3492(10) .
Zn1 S5 2.3577(10) .
Zn2 S2 2.3032(11) .
Zn2 S8 2.3404(11) 2_666
Zn2 S9 2.3648(11) .
Zn2 S10 2.4122(11) .
Zn3 S6 2.3044(11) 2_565
Zn3 S4 2.3392(11) .
Zn3 S11 2.3627(12) .
Zn3 S12 2.4190(12) .
S1 C1 1.688(4) .
S2 C1 1.706(4) .
S3 C5 1.687(4) .
S4 C5 1.700(4) .
S5 C9 1.698(4) .
S6 C9 1.685(4) .
S6 Zn3 2.3044(11) 2_565
S7 C13 1.697(4) .
S8 C13 1.691(4) .
S8 Zn2 2.3404(11) 2_666
S9 C17 1.715(4) .
S10 C17 1.676(4) .
S11 C21 1.693(5) .
S12 C21 1.694(5) .
O1 C1 1.317(4) .
O1 C2 1.476(4) .
O2 C5 1.316(4) .
O2 C6 1.463(5) .
O3 C9 1.324(4) .
O3 C10 1.451(5) .
O4 C13 1.322(4) .
O4 C14 1.444(5) .
O5 C17 1.315(5) .
O5 C18 1.462(5) .
O6 C21 1.310(5) .
O6 C22 1.446(6) .
C2 C3 1.486(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.513(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C6 C7 1.520(7) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.518(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C10 C11 1.516(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.516(7) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C14 C15 1.463(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.519(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C18 C19 1.474(6) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.511(9) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C22 C23 1.469(8) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.555(8) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
