#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/61/2226128.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226128
loop_
_publ_author_name
'Tadbuppa, Primjira P.'
'Tiekink, Edward R. T.'
_publ_section_title
;
 [(Z)-Ethyl
 N-isopropylthiocarbamato-κS](tricyclohexylphosphine-κP)gold(I)
;
_journal_coeditor_code           HB5427
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m615
_journal_paper_doi               10.1107/S1600536810015801
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Au (C6 H12 N O S) (C18 H33 P)]'
_chemical_formula_moiety         'C24 H45 Au N O P S'
_chemical_formula_sum            'C24 H45 Au N O P S'
_chemical_formula_weight         623.61
_chemical_name_systematic
;
[(Z)-Ethyl
N-isopropylthiocarbamato-κS](tricyclohexylphosphine-
κP)gold(I)
;
_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                93.4750(10)
_cell_angle_beta                 105.380(2)
_cell_angle_gamma                102.5970(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1226(6)
_cell_length_b                   12.3857(8)
_cell_length_c                   12.6754(9)
_cell_measurement_reflns_used    4588
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      2.5
_cell_volume                     1336.94(16)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens et al.,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_av_sigmaI/netI    0.044
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9521
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.654
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         6097
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.12
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.033
_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)+(0.065P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.086
_refine_ls_wR_factor_ref         0.107
_reflns_number_gt                5524
_reflns_number_total             6097
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5427.cif
_cod_data_source_block           I
_cod_database_code               2226128
_cod_database_fobs_code          2226128
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.26509(2) 0.057107(13) 0.194175(15) 0.03141(8) Uani d . 1 . .
S S1 0.41297(18) 0.22569(11) 0.17233(13) 0.0414(3) Uani d . 1 . .
P P1 0.12363(15) -0.11673(10) 0.19756(11) 0.0291(3) Uani d . 1 . .
O O1 0.2734(5) 0.2778(3) 0.3143(3) 0.0408(9) Uani d . 1 . .
N N1 0.4305(6) 0.4290(4) 0.2737(4) 0.0406(10) Uani d . 1 . .
C C1 0.3760(6) 0.3254(4) 0.2593(4) 0.0320(10) Uani d . 1 A .
C C2 0.532(2) 0.4809(13) 0.213(2) 0.046(3) Uani d PDU 0.618(15) A 1
H H2 0.5185 0.4296 0.1468 0.056 Uiso calc PR 0.618(15) A 1
C C3 0.496(2) 0.5899(13) 0.1786(15) 0.088(4) Uani d PDU 0.618(15) A 1
H H3A 0.5467 0.6127 0.1224 0.132 Uiso calc PR 0.618(15) A 1
H H3B 0.5357 0.6470 0.2420 0.132 Uiso calc PR 0.618(15) A 1
H H3C 0.3839 0.5796 0.1492 0.132 Uiso calc PR 0.618(15) A 1
C C4 0.6991(15) 0.5034(16) 0.2851(13) 0.074(4) Uani d PDU 0.618(15) A 1
H H4A 0.7154 0.5590 0.3470 0.111 Uiso calc PR 0.618(15) A 1
H H4B 0.7697 0.5306 0.2420 0.111 Uiso calc PR 0.618(15) A 1
H H4C 0.7195 0.4350 0.3121 0.111 Uiso calc PR 0.618(15) A 1
C C2A 0.560(4) 0.475(2) 0.215(3) 0.046(3) Uani d PD 0.382(15) A 2
H H2A 0.6035 0.4153 0.1875 0.056 Uiso calc PR 0.382(15) A 2
C C3A 0.479(4) 0.534(2) 0.123(2) 0.088(4) Uani d PD 0.382(15) A 2
H H3D 0.5074 0.5162 0.0563 0.132 Uiso calc PR 0.382(15) A 2
H H3E 0.5118 0.6136 0.1450 0.132 Uiso calc PR 0.382(15) A 2
H H3F 0.3665 0.5087 0.1086 0.132 Uiso calc PR 0.382(15) A 2
C C4A 0.682(3) 0.560(2) 0.304(2) 0.074(4) Uani d PD 0.382(15) A 2
H H4D 0.6450 0.6274 0.3097 0.111 Uiso calc PR 0.382(15) A 2
H H4E 0.7797 0.5772 0.2849 0.111 Uiso calc PR 0.382(15) A 2
H H4F 0.6976 0.5300 0.3737 0.111 Uiso calc PR 0.382(15) A 2
C C5 0.2278(9) 0.3534(6) 0.3835(6) 0.0575(17) Uani d . 1 . .
H H5A 0.1829 0.4074 0.3402 0.069 Uiso calc R 1 . .
H H5B 0.3190 0.3943 0.4434 0.069 Uiso calc R 1 . .
C C6 0.1106(12) 0.2858(7) 0.4286(7) 0.075(2) Uani d . 1 . .
H H6A 0.0209 0.2458 0.3686 0.113 Uiso calc R 1 . .
H H6B 0.0772 0.3341 0.4758 0.113 Uiso calc R 1 . .
H H6C 0.1565 0.2328 0.4713 0.113 Uiso calc R 1 . .
C C7 0.2235(6) -0.1951(4) 0.3003(5) 0.0380(11) Uani d . 1 . .
H H7 0.2834 -0.2329 0.2618 0.046 Uiso calc R 1 . .
C C8 0.3462(8) -0.1216(6) 0.3977(5) 0.0538(16) Uani d . 1 . .
H H8A 0.2947 -0.0811 0.4398 0.065 Uiso calc R 1 . .
H H8B 0.4178 -0.0665 0.3707 0.065 Uiso calc R 1 . .
C C9 0.4408(8) -0.1896(6) 0.4740(6) 0.0632(19) Uani d . 1 . .
H H9A 0.5141 -0.1404 0.5386 0.076 Uiso calc R 1 . .
H H9B 0.5016 -0.2240 0.4348 0.076 Uiso calc R 1 . .
C C10 0.3270(11) -0.2814(7) 0.5114(7) 0.079(2) Uani d . 1 . .
H H10A 0.3868 -0.3272 0.5568 0.095 Uiso calc R 1 . .
H H10B 0.2741 -0.2462 0.5567 0.095 Uiso calc R 1 . .
C C11 0.2085(8) -0.3532(5) 0.4159(6) 0.0561(17) Uani d . 1 . .
H H11A 0.1349 -0.4069 0.4426 0.067 Uiso calc R 1 . .
H H11B 0.2609 -0.3954 0.3762 0.067 Uiso calc R 1 . .
C C12 0.1193(7) -0.2887(5) 0.3382(5) 0.0392(11) Uani d . 1 . .
H H12A 0.0529 -0.2569 0.3743 0.047 Uiso calc R 1 . .
H H12B 0.0502 -0.3398 0.2734 0.047 Uiso calc R 1 . .
C C13 -0.0697(6) -0.1169(4) 0.2183(4) 0.0324(10) Uani d . 1 . .
H H13 -0.1246 -0.1949 0.2196 0.039 Uiso calc R 1 . .
C C14 -0.0525(8) -0.0501(6) 0.3267(5) 0.0496(14) Uani d . 1 . .
H H14A 0.0072 0.0264 0.3286 0.059 Uiso calc R 1 . .
H H14B 0.0060 -0.0830 0.3876 0.059 Uiso calc R 1 . .
C C15 -0.2119(12) -0.0484(8) 0.3415(7) 0.076(3) Uani d . 1 . .
H H15A -0.2670 -0.1244 0.3464 0.091 Uiso calc R 1 . .
H H15B -0.1970 -0.0025 0.4110 0.091 Uiso calc R 1 . .
C C16 -0.3115(10) -0.0032(7) 0.2487(7) 0.068(2) Uani d . 1 . .
H H16A -0.2630 0.0756 0.2484 0.082 Uiso calc R 1 . .
H H16B -0.4152 -0.0083 0.2594 0.082 Uiso calc R 1 . .
C C17 -0.3286(8) -0.0688(7) 0.1394(6) 0.0601(18) Uani d . 1 . .
H H17A -0.3875 -0.0352 0.0792 0.072 Uiso calc R 1 . .
H H17B -0.3885 -0.1454 0.1367 0.072 Uiso calc R 1 . .
C C18 -0.1682(6) -0.0710(5) 0.1221(5) 0.0450(13) Uani d . 1 . .
H H18A -0.1838 -0.1179 0.0530 0.054 Uiso calc R 1 . .
H H18B -0.1125 0.0046 0.1165 0.054 Uiso calc R 1 . .
C C19 0.0823(6) -0.1990(4) 0.0622(4) 0.0337(10) Uani d . 1 . .
H H19 0.0185 -0.1611 0.0078 0.040 Uiso calc R 1 . .
C C20 0.2347(7) -0.1946(5) 0.0286(6) 0.0462(14) Uani d . 1 . .
H H20A 0.2917 -0.1167 0.0340 0.055 Uiso calc R 1 . .
H H20B 0.3021 -0.2322 0.0795 0.055 Uiso calc R 1 . .
C C21 0.1981(10) -0.2509(6) -0.0891(6) 0.0586(17) Uani d . 1 . .
H H21A 0.1396 -0.2088 -0.1406 0.070 Uiso calc R 1 . .
H H21B 0.2963 -0.2505 -0.1070 0.070 Uiso calc R 1 . .
C C22 0.1034(9) -0.3689(5) -0.1022(5) 0.0561(17) Uani d . 1 . .
H H22A 0.1661 -0.4128 -0.0561 0.067 Uiso calc R 1 . .
H H22B 0.0769 -0.4018 -0.1792 0.067 Uiso calc R 1 . .
C C23 -0.0453(8) -0.3736(5) -0.0695(5) 0.0474(14) Uani d . 1 . .
H H23A -0.1022 -0.4517 -0.0758 0.057 Uiso calc R 1 . .
H H23B -0.1125 -0.3360 -0.1205 0.057 Uiso calc R 1 . .
C C24 -0.0122(6) -0.3184(4) 0.0485(5) 0.0375(11) Uani d . 1 . .
H H24A -0.1114 -0.3196 0.0652 0.045 Uiso calc R 1 . .
H H24B 0.0460 -0.3602 0.1005 0.045 Uiso calc R 1 . .
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au S1 . . 173.44(5) ?
C1 S1 Au . . 105.39(17) ?
C7 P1 C19 . . 106.1(2) ?
C7 P1 C13 . . 108.4(2) ?
C19 P1 C13 . . 105.9(2) ?
C7 P1 Au . . 114.59(18) ?
C19 P1 Au . . 108.69(16) ?
C13 P1 Au . . 112.55(16) ?
C1 O1 C5 . . 116.3(4) ?
C1 N1 C2A . . 116.2(12) ?
C1 N1 C2 . . 121.2(9) ?
C2A N1 C2 . . 9.0(14) ?
N1 C1 O1 . . 120.3(5) ?
N1 C1 S1 . . 127.9(4) ?
O1 C1 S1 . . 111.8(4) ?
C4 C2 N1 . . 108.7(15) ?
C4 C2 C3 . . 109.3(15) ?
N1 C2 C3 . . 111.9(17) ?
C4 C2 H2 . . 109.0 ?
N1 C2 H2 . . 109.0 ?
C3 C2 H2 . . 109.0 ?
C4A C2A N1 . . 103(3) ?
C4A C2A C3A . . 110(2) ?
N1 C2A C3A . . 104(3) ?
C4A C2A H2A . . 113.1 ?
N1 C2A H2A . . 113.1 ?
C3A C2A H2A . . 113.1 ?
C2A C3A H3D . . 109.5 ?
C2A C3A H3E . . 109.5 ?
H3D C3A H3E . . 109.5 ?
C2A C3A H3F . . 109.5 ?
H3D C3A H3F . . 109.5 ?
H3E C3A H3F . . 109.5 ?
C2A C4A H4D . . 109.5 ?
C2A C4A H4E . . 109.5 ?
H4D C4A H4E . . 109.5 ?
C2A C4A H4F . . 109.5 ?
H4D C4A H4F . . 109.5 ?
H4E C4A H4F . . 109.5 ?
O1 C5 C6 . . 107.2(5) ?
O1 C5 H5A . . 110.3 ?
C6 C5 H5A . . 110.3 ?
O1 C5 H5B . . 110.3 ?
C6 C5 H5B . . 110.3 ?
H5A C5 H5B . . 108.5 ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C8 C7 C12 . . 111.1(5) ?
C8 C7 P1 . . 113.6(4) ?
C12 C7 P1 . . 116.5(4) ?
C8 C7 H7 . . 104.8 ?
C12 C7 H7 . . 104.8 ?
P1 C7 H7 . . 104.8 ?
C7 C8 C9 . . 111.9(5) ?
C7 C8 H8A . . 109.2 ?
C9 C8 H8A . . 109.2 ?
C7 C8 H8B . . 109.2 ?
C9 C8 H8B . . 109.2 ?
H8A C8 H8B . . 107.9 ?
C8 C9 C10 . . 109.4(6) ?
C8 C9 H9A . . 109.8 ?
C10 C9 H9A . . 109.8 ?
C8 C9 H9B . . 109.8 ?
C10 C9 H9B . . 109.8 ?
H9A C9 H9B . . 108.2 ?
C11 C10 C9 . . 111.4(6) ?
C11 C10 H10A . . 109.4 ?
C9 C10 H10A . . 109.4 ?
C11 C10 H10B . . 109.4 ?
C9 C10 H10B . . 109.4 ?
H10A C10 H10B . . 108.0 ?
C10 C11 C12 . . 112.8(6) ?
C10 C11 H11A . . 109.0 ?
C12 C11 H11A . . 109.0 ?
C10 C11 H11B . . 109.0 ?
C12 C11 H11B . . 109.0 ?
H11A C11 H11B . . 107.8 ?
C11 C12 C7 . . 113.5(5) ?
C11 C12 H12A . . 108.9 ?
C7 C12 H12A . . 108.9 ?
C11 C12 H12B . . 108.9 ?
C7 C12 H12B . . 108.9 ?
H12A C12 H12B . . 107.7 ?
C14 C13 C18 . . 110.5(5) ?
C14 C13 P1 . . 111.4(4) ?
C18 C13 P1 . . 109.9(3) ?
C14 C13 H13 . . 108.3 ?
C18 C13 H13 . . 108.3 ?
P1 C13 H13 . . 108.3 ?
C13 C14 C15 . . 110.9(6) ?
C13 C14 H14A . . 109.5 ?
C15 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
C15 C14 H14B . . 109.5 ?
H14A C14 H14B . . 108.0 ?
C16 C15 C14 . . 112.7(6) ?
C16 C15 H15A . . 109.0 ?
C14 C15 H15A . . 109.0 ?
C16 C15 H15B . . 109.0 ?
C14 C15 H15B . . 109.0 ?
H15A C15 H15B . . 107.8 ?
C15 C16 C17 . . 110.0(6) ?
C15 C16 H16A . . 109.7 ?
C17 C16 H16A . . 109.7 ?
C15 C16 H16B . . 109.7 ?
C17 C16 H16B . . 109.7 ?
H16A C16 H16B . . 108.2 ?
C16 C17 C18 . . 111.9(6) ?
C16 C17 H17A . . 109.2 ?
C18 C17 H17A . . 109.2 ?
C16 C17 H17B . . 109.2 ?
C18 C17 H17B . . 109.2 ?
H17A C17 H17B . . 107.9 ?
C13 C18 C17 . . 110.5(5) ?
C13 C18 H18A . . 109.6 ?
C17 C18 H18A . . 109.6 ?
C13 C18 H18B . . 109.6 ?
C17 C18 H18B . . 109.6 ?
H18A C18 H18B . . 108.1 ?
C24 C19 C20 . . 110.4(4) ?
C24 C19 P1 . . 116.4(4) ?
C20 C19 P1 . . 111.2(4) ?
C24 C19 H19 . . 106.0 ?
C20 C19 H19 . . 106.0 ?
P1 C19 H19 . . 106.0 ?
C21 C20 C19 . . 111.0(5) ?
C21 C20 H20A . . 109.4 ?
C19 C20 H20A . . 109.4 ?
C21 C20 H20B . . 109.4 ?
C19 C20 H20B . . 109.4 ?
H20A C20 H20B . . 108.0 ?
C22 C21 C20 . . 111.0(5) ?
C22 C21 H21A . . 109.4 ?
C20 C21 H21A . . 109.4 ?
C22 C21 H21B . . 109.4 ?
C20 C21 H21B . . 109.4 ?
H21A C21 H21B . . 108.0 ?
C21 C22 C23 . . 111.1(5) ?
C21 C22 H22A . . 109.4 ?
C23 C22 H22A . . 109.4 ?
C21 C22 H22B . . 109.4 ?
C23 C22 H22B . . 109.4 ?
H22A C22 H22B . . 108.0 ?
C22 C23 C24 . . 112.0(5) ?
C22 C23 H23A . . 109.2 ?
C24 C23 H23A . . 109.2 ?
C22 C23 H23B . . 109.2 ?
C24 C23 H23B . . 109.2 ?
H23A C23 H23B . . 107.9 ?
C19 C24 C23 . . 110.4(5) ?
C19 C24 H24A . . 109.6 ?
C23 C24 H24A . . 109.6 ?
C19 C24 H24B . . 109.6 ?
C23 C24 H24B . . 109.6 ?
H24A C24 H24B . . 108.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au P1 . 2.2653(13) ?
Au S1 . 2.3013(13) ?
S1 C1 . 1.752(5) ?
P1 C7 . 1.838(5) ?
P1 C19 . 1.845(5) ?
P1 C13 . 1.850(5) ?
O1 C1 . 1.365(6) ?
O1 C5 . 1.444(7) ?
N1 C1 . 1.254(7) ?
N1 C2A . 1.58(5) ?
N1 C2 . 1.42(3) ?
C2 C4 . 1.511(9) ?
C2 C3 . 1.519(9) ?
C2 H2 . 0.9900 ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C3 H3C . 0.9700 ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C4 H4C . 0.9700 ?
C2A C4A . 1.516(10) ?
C2A C3A . 1.524(10) ?
C2A H2A . 0.9900 ?
C3A H3D . 0.9700 ?
C3A H3E . 0.9700 ?
C3A H3F . 0.9700 ?
C4A H4D . 0.9700 ?
C4A H4E . 0.9700 ?
C4A H4F . 0.9700 ?
C5 C6 . 1.471(10) ?
C5 H5A . 0.9800 ?
C5 H5B . 0.9800 ?
C6 H6A . 0.9700 ?
C6 H6B . 0.9700 ?
C6 H6C . 0.9700 ?
C7 C8 . 1.514(8) ?
C7 C12 . 1.519(7) ?
C7 H7 . 0.9900 ?
C8 C9 . 1.538(9) ?
C8 H8A . 0.9800 ?
C8 H8B . 0.9800 ?
C9 C10 . 1.552(11) ?
C9 H9A . 0.9800 ?
C9 H9B . 0.9800 ?
C10 C11 . 1.476(11) ?
C10 H10A . 0.9800 ?
C10 H10B . 0.9800 ?
C11 C12 . 1.493(8) ?
C11 H11A . 0.9800 ?
C11 H11B . 0.9800 ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C13 C14 . 1.512(8) ?
C13 C18 . 1.531(7) ?
C13 H13 . 0.9900 ?
C14 C15 . 1.519(10) ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C15 C16 . 1.503(11) ?
C15 H15A . 0.9800 ?
C15 H15B . 0.9800 ?
C16 C17 . 1.516(12) ?
C16 H16A . 0.9800 ?
C16 H16B . 0.9800 ?
C17 C18 . 1.541(8) ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C19 C24 . 1.514(7) ?
C19 C20 . 1.549(7) ?
C19 H19 . 0.9900 ?
C20 C21 . 1.526(10) ?
C20 H20A . 0.9800 ?
C20 H20B . 0.9800 ?
C21 C22 . 1.501(10) ?
C21 H21A . 0.9800 ?
C21 H21B . 0.9800 ?
C22 C23 . 1.511(9) ?
C22 H22A . 0.9800 ?
C22 H22B . 0.9800 ?
C23 C24 . 1.531(8) ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
