#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:28:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179062 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/24/4302472.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_4302472
loop_
_publ_author_name
'Erwan Galardon'
'Alain Tomas'
'Mohamed Selkti'
'Pascal Roussel'
'Isabelle Artaud'
_publ_section_title
;
Synthesis, Characterization, and Reactivity of Alkyldisulfanido Zinc
Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5921
_journal_page_last               5927
_journal_paper_doi               10.1021/ic900238v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C34 H37 B N6 S Zn'
_chemical_formula_weight         637.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.49(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.854(2)
_cell_length_b                   16.944(3)
_cell_length_c                   22.060(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      2
_cell_volume                     3254.2(12)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep III (Farrugia, 1997)'
_computing_publication_material  'WinGX - Version 1.63.02'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Enraf-nonius CAD4 [7]'
_diffrn_measurement_method       'ω - 2θ'
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10507
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  1
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.852
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         7405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0683P)²+0.8652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1250
_reflns_number_gt                5445
_reflns_number_total             7405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900238v_si_002_4.cif
_cod_data_source_block           erw
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302472
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
Zn1 Zn 0.45836(3) 0.244521(14) 0.594580(13) 0.04118(10) Uani 1 1 d . . .
S1 S 0.41029(7) 0.28073(4) 0.68575(3) 0.04684(16) Uani 1 1 d . . .
N1 N 0.3915(2) 0.31139(11) 0.51525(9) 0.0478(5) Uani 1 1 d . . .
N2 N 0.3779(2) 0.14335(11) 0.54578(9) 0.0460(5) Uani 1 1 d . . .
N3 N 0.6763(2) 0.21479(12) 0.57900(10) 0.0475(5) Uani 1 1 d . . .
N4 N 0.4530(2) 0.28502(12) 0.46614(10) 0.0492(5) Uani 1 1 d . . .
N5 N 0.4253(2) 0.14044(11) 0.48960(10) 0.0485(5) Uani 1 1 d . . .
N6 N 0.6825(2) 0.20718(11) 0.51754(10) 0.0490(5) Uani 1 1 d . . .
C1 C 0.5177(3) 0.37321(13) 0.70970(12) 0.0456(5) Uani 1 1 d . . .
C2 C 0.6209(3) 0.35698(16) 0.77157(13) 0.0631(7) Uani 1 1 d . . .
H2A H 0.6989 0.3197 0.7661 0.095 Uiso 1 1 calc R . .
H2B H 0.5606 0.3358 0.7997 0.095 Uiso 1 1 calc R . .
H2C H 0.6684 0.4053 0.7879 0.095 Uiso 1 1 calc R . .
C3 C 0.6129(4) 0.39993(17) 0.66294(15) 0.0675(8) Uani 1 1 d . . .
H3A H 0.6675 0.4473 0.6773 0.101 Uiso 1 1 calc R . .
H3B H 0.5466 0.4101 0.6242 0.101 Uiso 1 1 calc R . .
H3C H 0.6850 0.3593 0.6576 0.101 Uiso 1 1 calc R . .
C4 C 0.4018(4) 0.43690(17) 0.71779(15) 0.0712(8) Uani 1 1 d . . .
H4A H 0.3357 0.4179 0.7446 0.107 Uiso 1 1 calc R . .
H4B H 0.3413 0.4499 0.6784 0.107 Uiso 1 1 calc R . .
H4C H 0.4551 0.4831 0.7355 0.107 Uiso 1 1 calc R . .
C5 C 0.3280(3) 0.38209(13) 0.49913(12) 0.0473(6) Uani 1 1 d . . .
C6 C 0.2369(3) 0.42647(14) 0.53697(12) 0.0491(6) Uani 1 1 d . . .
C7 C 0.1352(3) 0.38862(16) 0.56787(14) 0.0589(7) Uani 1 1 d . . .
H7 H 0.1303 0.3338 0.5675 0.071 Uiso 1 1 calc R . .
C8 C 0.0409(3) 0.4312(2) 0.59930(16) 0.0738(9) Uani 1 1 d . . .
H8 H -0.0266 0.4048 0.6200 0.089 Uiso 1 1 calc R . .
C9 C 0.0462(4) 0.5114(2) 0.60007(17) 0.0802(10) Uani 1 1 d . . .
H9 H -0.0175 0.5398 0.6213 0.096 Uiso 1 1 calc R . .
C10 C 0.1443(4) 0.55001(18) 0.56987(16) 0.0767(10) Uani 1 1 d . . .
H10 H 0.1472 0.6049 0.5705 0.092 Uiso 1 1 calc R . .
C11 C 0.2410(3) 0.50848(16) 0.53785(15) 0.0646(8) Uani 1 1 d . . .
H11 H 0.3078 0.5355 0.5172 0.078 Uiso 1 1 calc R . .
C12 C 0.3529(3) 0.40148(15) 0.44033(13) 0.0571(7) Uani 1 1 d . . .
H12 H 0.3226 0.4476 0.4186 0.069 Uiso 1 1 calc R . .
C13 C 0.4310(3) 0.33931(15) 0.42067(12) 0.0526(6) Uani 1 1 d . . .
C14 C 0.4857(4) 0.3287(2) 0.36078(14) 0.0734(8) Uani 1 1 d . . .
H14A H 0.5886 0.3084 0.3686 0.110 Uiso 1 1 calc R . .
H14B H 0.4840 0.3786 0.3401 0.110 Uiso 1 1 calc R . .
H14C H 0.4195 0.2922 0.3353 0.110 Uiso 1 1 calc R . .
C15 C 0.2939(3) 0.07848(13) 0.54948(12) 0.0451(5) Uani 1 1 d . . .
C16 C 0.2255(3) 0.06014(13) 0.60363(12) 0.0462(6) Uani 1 1 d . . .
C17 C 0.2823(3) 0.08952(14) 0.66210(13) 0.0527(6) Uani 1 1 d . . .
H17 H 0.3695 0.1213 0.6682 0.063 Uiso 1 1 calc R . .
C18 C 0.2111(4) 0.07224(16) 0.71130(14) 0.0644(7) Uani 1 1 d . . .
H18 H 0.2489 0.0937 0.7499 0.077 Uiso 1 1 calc R . .
C19 C 0.0842(3) 0.02327(18) 0.70368(16) 0.0685(8) Uani 1 1 d . . .
H19 H 0.0367 0.0113 0.7369 0.082 Uiso 1 1 calc R . .
C20 C 0.0297(3) -0.0073(2) 0.64666(16) 0.0722(9) Uani 1 1 d . . .
H20 H -0.0548 -0.0408 0.6412 0.087 Uiso 1 1 calc R . .
C21 C 0.0975(3) 0.01076(17) 0.59744(14) 0.0603(7) Uani 1 1 d . . .
H21 H 0.0574 -0.0104 0.5590 0.072 Uiso 1 1 calc R . .
C22 C 0.2859(3) 0.03444(15) 0.49557(12) 0.0527(6) Uani 1 1 d . . .
H22 H 0.2335 -0.0129 0.4864 0.063 Uiso 1 1 calc R . .
C23 C 0.3696(3) 0.07374(14) 0.45874(12) 0.0504(6) Uani 1 1 d . . .
C24 C 0.3994(3) 0.05255(19) 0.39659(13) 0.0672(8) Uani 1 1 d . . .
H24A H 0.3512 0.0906 0.3670 0.101 Uiso 1 1 calc R . .
H24B H 0.3581 0.0011 0.3854 0.101 Uiso 1 1 calc R . .
H24C H 0.5081 0.0523 0.3972 0.101 Uiso 1 1 calc R . .
C25 C 0.8215(3) 0.21080(13) 0.60969(13) 0.0485(6) Uani 1 1 d . . .
C26 C 0.8638(3) 0.20979(15) 0.67723(13) 0.0509(6) Uani 1 1 d . . .
C27 C 0.7818(3) 0.16520(16) 0.71319(14) 0.0580(7) Uani 1 1 d . . .
H27 H 0.6926 0.1394 0.6947 0.070 Uiso 1 1 calc R . .
C28 C 0.8313(4) 0.1588(2) 0.77578(15) 0.0713(9) Uani 1 1 d . . .
H28 H 0.7769 0.1279 0.7992 0.086 Uiso 1 1 calc R . .
C29 C 0.9604(4) 0.1980(2) 0.80370(15) 0.0751(9) Uani 1 1 d . . .
H29 H 0.9929 0.1940 0.8461 0.090 Uiso 1 1 calc R . .
C30 C 1.0423(4) 0.2432(2) 0.76938(18) 0.0771(10) Uani 1 1 d . . .
H30 H 1.1291 0.2704 0.7887 0.093 Uiso 1 1 calc R . .
C31 C 0.9958(3) 0.24858(16) 0.70590(16) 0.0646(8) Uani 1 1 d . . .
H31 H 1.0530 0.2781 0.6826 0.078 Uiso 1 1 calc R . .
C32 C 0.9207(3) 0.20282(15) 0.56753(14) 0.0565(7) Uani 1 1 d . . .
H32 H 1.0273 0.1996 0.5767 0.068 Uiso 1 1 calc R . .
C33 C 0.8308(3) 0.20066(14) 0.51019(14) 0.0539(6) Uani 1 1 d . . .
C34 C 0.8773(4) 0.19417(19) 0.44888(16) 0.0767(9) Uani 1 1 d . . .
H34A H 0.8303 0.1484 0.4278 0.115 Uiso 1 1 calc R . .
H34B H 0.9870 0.1895 0.4543 0.115 Uiso 1 1 calc R . .
H34C H 0.8446 0.2405 0.4250 0.115 Uiso 1 1 calc R . .
B35 B 0.5323(4) 0.20370(16) 0.46979(14) 0.0513(7) Uani 1 1 d . . .
H35 H 0.5556 0.1899 0.4293 0.062 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'
N N 0.0061 0.0033 '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'
B B 0.0013 0.0007 '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
_geom_angle_publ_flag
N1 Zn1 N2 89.73(8) . . ?
N1 Zn1 N3 97.08(8) . . ?
N2 Zn1 N3 87.46(8) . . ?
N1 Zn1 S1 122.74(6) . . ?
N2 Zn1 S1 126.40(6) . . ?
N3 Zn1 S1 123.60(6) . . ?
C1 S1 Zn1 108.56(8) . . ?
C5 N1 N4 106.8(2) . . ?
C5 N1 Zn1 138.62(18) . . ?
N4 N1 Zn1 113.21(14) . . ?
C15 N2 N5 106.79(19) . . ?
C15 N2 Zn1 141.93(18) . . ?
N5 N2 Zn1 111.28(14) . . ?
C25 N3 N6 106.64(19) . . ?
C25 N3 Zn1 139.53(18) . . ?
N6 N3 Zn1 113.01(14) . . ?
C13 N4 N1 109.9(2) . . ?
C13 N4 B35 130.6(2) . . ?
N1 N4 B35 119.46(19) . . ?
C23 N5 N2 109.7(2) . . ?
C23 N5 B35 128.2(2) . . ?
N2 N5 B35 122.11(19) . . ?
C33 N6 N3 109.9(2) . . ?
C33 N6 B35 130.5(2) . . ?
N3 N6 B35 119.61(19) . . ?
C3 C1 C4 109.8(2) . . ?
C3 C1 C2 110.3(2) . . ?
C4 C1 C2 109.3(2) . . ?
C3 C1 S1 112.18(18) . . ?
C4 C1 S1 108.06(18) . . ?
C2 C1 S1 107.16(16) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C12 109.1(2) . . ?
N1 C5 C6 123.5(2) . . ?
C12 C5 C6 127.2(2) . . ?
C7 C6 C11 118.4(3) . . ?
C7 C6 C5 121.1(2) . . ?
C11 C6 C5 120.3(3) . . ?
C8 C7 C6 120.9(3) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.0(3) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C11 120.8(3) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C6 C11 C10 119.6(3) . . ?
C6 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C5 106.7(2) . . ?
C13 C12 H12 126.7 . . ?
C5 C12 H12 126.7 . . ?
N4 C13 C12 107.5(2) . . ?
N4 C13 C14 123.2(2) . . ?
C12 C13 C14 129.3(2) . . ?
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 . . ?
N2 C15 C22 109.2(2) . . ?
N2 C15 C16 122.7(2) . . ?
C22 C15 C16 128.1(2) . . ?
C17 C16 C21 117.2(3) . . ?
C17 C16 C15 123.1(2) . . ?
C21 C16 C15 119.7(2) . . ?
C18 C17 C16 120.9(3) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 118.9(3) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C19 C20 C21 121.0(3) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C16 121.5(3) . . ?
C20 C21 H21 119.3 . . ?
C16 C21 H21 119.3 . . ?
C23 C22 C15 107.3(2) . . ?
C23 C22 H22 126.4 . . ?
C15 C22 H22 126.4 . . ?
N5 C23 C22 107.0(2) . . ?
N5 C23 C24 123.5(2) . . ?
C22 C23 C24 129.5(2) . . ?
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 . . ?
N3 C25 C32 109.3(2) . . ?
N3 C25 C26 123.8(2) . . ?
C32 C25 C26 126.8(2) . . ?
C27 C26 C31 118.7(3) . . ?
C27 C26 C25 121.4(2) . . ?
C31 C26 C25 119.6(2) . . ?
C28 C27 C26 120.7(3) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 120.2(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C26 119.9(3) . . ?
C30 C31 H31 120.0 . . ?
C26 C31 H31 120.0 . . ?
C33 C32 C25 106.7(2) . . ?
C33 C32 H32 126.6 . . ?
C25 C32 H32 126.6 . . ?
N6 C33 C32 107.5(2) . . ?
N6 C33 C34 123.3(3) . . ?
C32 C33 C34 129.3(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N6 B35 N4 109.3(2) . . ?
N6 B35 N5 109.3(2) . . ?
N4 B35 N5 109.7(2) . . ?
N6 B35 H35 109.5 . . ?
N4 B35 H35 109.5 . . ?
N5 B35 H35 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N1 2.078(2) . ?
Zn1 N2 2.0799(19) . ?
Zn1 N3 2.082(2) . ?
Zn1 S1 2.2169(8) . ?
S1 C1 1.859(2) . ?
N1 C5 1.344(3) . ?
N1 N4 1.373(3) . ?
N2 C15 1.338(3) . ?
N2 N5 1.380(3) . ?
N3 C25 1.341(3) . ?
N3 N6 1.373(3) . ?
N4 C13 1.349(3) . ?
N4 B35 1.542(3) . ?
N5 C23 1.364(3) . ?
N5 B35 1.546(4) . ?
N6 C33 1.357(3) . ?
N6 B35 1.540(4) . ?
C1 C3 1.516(4) . ?
C1 C4 1.522(4) . ?
C1 C2 1.523(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C12 1.394(4) . ?
C5 C6 1.469(4) . ?
C6 C7 1.382(4) . ?
C6 C11 1.390(4) . ?
C7 C8 1.382(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.361(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.355(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.395(4) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.373(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.499(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C22 1.395(3) . ?
C15 C16 1.467(4) . ?
C16 C17 1.389(4) . ?
C16 C21 1.395(3) . ?
C17 C18 1.382(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.383(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.364(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.368(4) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.368(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.487(4) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C32 1.397(3) . ?
C25 C26 1.469(4) . ?
C26 C27 1.391(4) . ?
C26 C31 1.389(4) . ?
C27 C28 1.375(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.367(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.374(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.389(5) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.367(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.488(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
B35 H35 0.9800 . ?
