#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:19:14 +0200 (Mon, 07 Nov 2022) $
#$Revision: 278976 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/76/1567676.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_1567676
loop_
_publ_author_name
'Mahawar, Pritam'
'Shukla, Pratima'
'Chandra Joshi, Prakash'
'Singh, Dharmendra'
'Kumar, Hemant'
'Mukherjee, Goutam'
'Nagendran, Selvarajan'
_publ_section_title
;
 Air and water stable germacarbonyl compounds
;
_journal_issue                   42
_journal_name_full               'Chemical Science'
_journal_page_first              12382
_journal_page_last               12388
_journal_paper_doi               10.1039/D2SC01869A
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C39 H36 Ge N2'
_chemical_formula_sum            'C39 H36 Ge N2'
_chemical_formula_weight         605.31
_chemical_name_systematic        DPMGePh
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-10-21 deposited with the CCDC.	2022-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.1970(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0811(6)
_cell_length_b                   11.4764(4)
_cell_length_c                   18.5521(7)
_cell_measurement_reflns_used    9762
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      27.75
_cell_measurement_theta_min      2.48
_cell_volume                     3210.9(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      302(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0854
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            157823
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.293
_diffrn_reflns_theta_min         2.087
_exptl_absorpt_coefficient_mu    0.983
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'DARK GREEN'
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   0.898
_exptl_transmission_factor_min   0.838
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         7970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.2721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1336
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6036
_reflns_number_total             7970
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc01869a2.cif
_cod_data_source_block           PM193_0ma_a
_cod_depositor_comments
'Adding full bibliography for 1567676--1567686.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567676
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.838
_shelx_estimated_absorpt_t_max   0.898
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.27201(2) 0.31346(2) 0.65420(2) 0.04446(9) Uani 1 1 d . . . . .
N1 N 0.32551(10) 0.15729(14) 0.67454(8) 0.0390(3) Uani 1 1 d . . . . .
N2 N 0.22559(10) 0.30860(12) 0.75594(9) 0.0409(3) Uani 1 1 d . . . . .
C2 C 0.31570(11) 0.08320(16) 0.73381(9) 0.0399(4) Uani 1 1 d . . . . .
C26 C 0.24481(13) 0.58361(17) 0.73744(11) 0.0478(4) Uani 1 1 d . . . . .
C10 C 0.41202(12) 0.16246(17) 0.56114(10) 0.0436(4) Uani 1 1 d . . . . .
C25 C 0.17095(12) 0.50959(17) 0.74403(10) 0.0447(4) Uani 1 1 d . . . . .
C6 C 0.22102(12) 0.21641(17) 0.80476(10) 0.0416(4) Uani 1 1 d . . . . .
C1 C 0.26404(11) 0.10957(16) 0.79463(9) 0.0402(4) Uani 1 1 d . . . . .
C9 C 0.17908(11) 0.39808(17) 0.78296(10) 0.0439(4) Uani 1 1 d . . . . .
C5 C 0.38471(12) 0.10779(17) 0.63001(10) 0.0426(4) Uani 1 1 d . . . . .
C27 C 0.23603(17) 0.68630(17) 0.69917(13) 0.0553(5) Uani 1 1 d . . . . .
H27 H 0.2851 0.7347 0.6944 0.066 Uiso 1 1 calc R U . . .
C8 C 0.14284(14) 0.3655(2) 0.85038(11) 0.0551(5) Uani 1 1 d . . . . .
H8 H 0.1081 0.4119 0.8801 0.066 Uiso 1 1 calc R U . . .
C11 C 0.47429(12) 0.25301(19) 0.56143(11) 0.0494(5) Uani 1 1 d . . . . .
C3 C 0.37136(13) -0.01429(18) 0.72342(11) 0.0485(4) Uani 1 1 d . . . . .
H3 H 0.3779 -0.0773 0.7545 0.058 Uiso 1 1 calc R U . . .
C19 C 0.25676(12) 0.01943(17) 0.85186(10) 0.0438(4) Uani 1 1 d . . . . .
C7 C 0.16853(14) 0.2529(2) 0.86373(11) 0.0534(5) Uani 1 1 d . . . . .
H7 H 0.1541 0.2087 0.9040 0.064 Uiso 1 1 calc R U . . .
C14 C 0.46697(14) 0.2603(2) 0.43084(11) 0.0560(5) Uani 1 1 d . . . . .
C13 C 0.50012(15) 0.3001(2) 0.49558(14) 0.0590(6) Uani 1 1 d . . . . .
H13 H 0.5412 0.3606 0.4953 0.071 Uiso 1 1 calc R U . . .
C24 C 0.28256(13) 0.04175(19) 0.92260(11) 0.0510(5) Uani 1 1 d . . . . .
H24 H 0.3040 0.1151 0.9350 0.061 Uiso 1 1 calc R U . . .
C16 C 0.37783(14) 0.12075(19) 0.49619(10) 0.0508(5) Uani 1 1 d . . . . .
C15 C 0.40548(17) 0.1724(2) 0.43193(12) 0.0576(6) Uani 1 1 d . . . . .
H15 H 0.3814 0.1464 0.3886 0.069 Uiso 1 1 calc R U . . .
C34 C 0.15857(14) 0.2559(2) 0.61071(12) 0.0570(5) Uani 1 1 d . . . . .
C4 C 0.41408(14) 0.00146(19) 0.65868(11) 0.0525(5) Uani 1 1 d . . . . .
H4 H 0.4548 -0.0490 0.6378 0.063 Uiso 1 1 calc R U . . .
C32 C 0.33165(15) 0.5550(2) 0.77305(14) 0.0627(6) Uani 1 1 d . . . . .
H32A H 0.3710 0.6204 0.7691 0.094 Uiso 1 1 calc R U . . .
H32B H 0.3576 0.4885 0.7498 0.094 Uiso 1 1 calc R U . . .
H32C H 0.3219 0.5376 0.8230 0.094 Uiso 1 1 calc R U . . .
C30 C 0.08960(13) 0.5420(2) 0.71231(12) 0.0554(5) Uani 1 1 d . . . . .
C28 C 0.15696(18) 0.7195(2) 0.66780(12) 0.0603(6) Uani 1 1 d . . . . .
C23 C 0.27673(16) -0.0440(2) 0.97466(13) 0.0657(6) Uani 1 1 d . . . . .
H23 H 0.2942 -0.0281 1.0218 0.079 Uiso 1 1 calc R U . . .
C20 C 0.22425(13) -0.0911(2) 0.83478(12) 0.0539(5) Uani 1 1 d . . . . .
H20 H 0.2065 -0.1076 0.7878 0.065 Uiso 1 1 calc R U . . .
C12 C 0.51347(18) 0.2996(3) 0.63048(15) 0.0718(7) Uani 1 1 d . . . . .
H12A H 0.5699 0.3347 0.6207 0.108 Uiso 1 1 calc R U . . .
H12B H 0.5211 0.2369 0.6642 0.108 Uiso 1 1 calc R U . . .
H12C H 0.4743 0.3569 0.6506 0.108 Uiso 1 1 calc R U . . .
C22 C 0.2451(2) -0.1529(3) 0.95687(16) 0.0765(8) Uani 1 1 d . . . . .
H22 H 0.2417 -0.2109 0.9918 0.092 Uiso 1 1 calc R U . . .
C29 C 0.08555(16) 0.6478(2) 0.67512(13) 0.0649(6) Uani 1 1 d . . . . .
H29 H 0.0319 0.6702 0.6545 0.078 Uiso 1 1 calc R U . . .
C18 C 0.4965(2) 0.3146(3) 0.36027(16) 0.0815(9) Uani 1 1 d . . . . .
H18A H 0.4809 0.2638 0.3211 0.122 Uiso 1 1 calc R U . . .
H18B H 0.5595 0.3257 0.3612 0.122 Uiso 1 1 calc R U . . .
H18C H 0.4676 0.3884 0.3539 0.122 Uiso 1 1 calc R U . . .
C21 C 0.2183(2) -0.1758(2) 0.88703(17) 0.0720(8) Uani 1 1 d . . . . .
H21 H 0.1961 -0.2490 0.8752 0.086 Uiso 1 1 calc R U . . .
C31 C 0.00904(16) 0.4651(3) 0.71756(18) 0.0836(8) Uani 1 1 d . . . . .
H31A H 0.0198 0.3935 0.6923 0.125 Uiso 1 1 calc R U . . .
H31B H -0.0410 0.5041 0.6964 0.125 Uiso 1 1 calc R U . . .
H31C H -0.0030 0.4486 0.7673 0.125 Uiso 1 1 calc R U . . .
C33 C 0.1505(2) 0.8341(2) 0.62732(16) 0.0835(9) Uani 1 1 d . . . . .
H33A H 0.1063 0.8824 0.6493 0.125 Uiso 1 1 calc R U . . .
H33B H 0.1344 0.8192 0.5781 0.125 Uiso 1 1 calc R U . . .
H33C H 0.2068 0.8730 0.6289 0.125 Uiso 1 1 calc R U . . .
C17 C 0.3111(2) 0.0220(3) 0.49443(15) 0.0837(9) Uani 1 1 d . . . . .
H17A H 0.3411 -0.0506 0.5024 0.126 Uiso 1 1 calc R U . . .
H17B H 0.2821 0.0204 0.4483 0.126 Uiso 1 1 calc R U . . .
H17C H 0.2678 0.0337 0.5315 0.126 Uiso 1 1 calc R U . . .
C39 C 0.1162(2) 0.3306(3) 0.56299(16) 0.0838(9) Uani 1 1 d . . . . .
H39 H 0.1419 0.4020 0.5518 0.101 Uiso 1 1 calc R U . . .
C38 C 0.0348(2) 0.2995(4) 0.53140(18) 0.1073(14) Uani 1 1 d . . . . .
H38 H 0.0066 0.3495 0.4992 0.129 Uiso 1 1 calc R U . . .
C37 C -0.0031(3) 0.1919(4) 0.5492(3) 0.1185(16) Uani 1 1 d . . . . .
H37 H -0.0568 0.1691 0.5288 0.142 Uiso 1 1 calc R U . . .
C35 C 0.1174(2) 0.1555(3) 0.6258(3) 0.1241(17) Uani 1 1 d . . . . .
H35 H 0.1435 0.1047 0.6586 0.149 Uiso 1 1 calc R U . . .
C36 C 0.0379(3) 0.1246(4) 0.5945(4) 0.174(3) Uani 1 1 d . . . . .
H36 H 0.0127 0.0532 0.6063 0.209 Uiso 1 1 calc R U . . .
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'
Ge Ge 0.1547 1.8001 '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'
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 Ge1 C34 97.13(8) . . ?
N1 Ge1 N2 86.55(6) . . ?
C34 Ge1 N2 93.96(8) . . ?
C5 N1 C2 107.38(15) . . ?
C5 N1 Ge1 122.06(13) . . ?
C2 N1 Ge1 130.49(12) . . ?
C9 N2 C6 108.11(15) . . ?
C9 N2 Ge1 120.82(12) . . ?
C6 N2 Ge1 130.32(12) . . ?
N1 C2 C1 124.09(16) . . ?
N1 C2 C3 108.05(15) . . ?
C1 C2 C3 127.67(17) . . ?
C27 C26 C25 119.0(2) . . ?
C27 C26 C32 119.6(2) . . ?
C25 C26 C32 121.30(19) . . ?
C16 C10 C11 120.28(18) . . ?
C16 C10 C5 119.76(18) . . ?
C11 C10 C5 119.92(18) . . ?
C26 C25 C30 119.53(19) . . ?
C26 C25 C9 120.15(17) . . ?
C30 C25 C9 120.32(18) . . ?
N2 C6 C1 123.59(15) . . ?
N2 C6 C7 107.86(17) . . ?
C1 C6 C7 128.54(18) . . ?
C6 C1 C2 123.66(17) . . ?
C6 C1 C19 118.57(16) . . ?
C2 C1 C19 117.76(16) . . ?
N2 C9 C8 109.38(17) . . ?
N2 C9 C25 121.60(16) . . ?
C8 C9 C25 129.03(17) . . ?
N1 C5 C4 110.13(16) . . ?
N1 C5 C10 122.52(17) . . ?
C4 C5 C10 127.34(16) . . ?
C28 C27 C26 122.3(2) . . ?
C28 C27 H27 118.9 . . ?
C26 C27 H27 118.9 . . ?
C7 C8 C9 107.36(17) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
C13 C11 C10 118.3(2) . . ?
C13 C11 C12 119.9(2) . . ?
C10 C11 C12 121.83(19) . . ?
C4 C3 C2 107.16(17) . . ?
C4 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
C24 C19 C20 118.57(19) . . ?
C24 C19 C1 121.63(18) . . ?
C20 C19 C1 119.80(18) . . ?
C8 C7 C6 107.29(17) . . ?
C8 C7 H7 126.4 . . ?
C6 C7 H7 126.4 . . ?
C15 C14 C13 118.4(2) . . ?
C15 C14 C18 121.0(2) . . ?
C13 C14 C18 120.6(2) . . ?
C14 C13 C11 122.3(2) . . ?
C14 C13 H13 118.9 . . ?
C11 C13 H13 118.9 . . ?
C23 C24 C19 120.7(2) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
C10 C16 C15 118.8(2) . . ?
C10 C16 C17 121.27(19) . . ?
C15 C16 C17 120.0(2) . . ?
C14 C15 C16 122.0(2) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C35 C34 C39 116.9(3) . . ?
C35 C34 Ge1 126.61(19) . . ?
C39 C34 Ge1 116.4(2) . . ?
C3 C4 C5 107.28(17) . . ?
C3 C4 H4 126.4 . . ?
C5 C4 H4 126.4 . . ?
C26 C32 H32A 109.5 . . ?
C26 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C26 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C30 C25 118.2(2) . . ?
C29 C30 C31 120.5(2) . . ?
C25 C30 C31 121.3(2) . . ?
C29 C28 C27 118.3(2) . . ?
C29 C28 C33 121.6(3) . . ?
C27 C28 C33 120.2(3) . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C21 C20 C19 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
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 . . ?
C23 C22 C21 119.8(2) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C28 C29 C30 122.7(2) . . ?
C28 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C21 C22 120.5(2) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
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 . . ?
C34 C39 C38 120.6(3) . . ?
C34 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C37 C38 C39 118.8(3) . . ?
C37 C38 H38 120.6 . . ?
C39 C38 H38 120.6 . . ?
C36 C37 C38 119.0(4) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C34 C35 C36 122.5(3) . . ?
C34 C35 H35 118.7 . . ?
C36 C35 H35 118.7 . . ?
C37 C36 C35 122.1(4) . . ?
C37 C36 H36 118.9 . . ?
C35 C36 H36 118.9 . . ?
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
Ge1 N1 2.0009(15) . ?
Ge1 C34 2.001(2) . ?
Ge1 N2 2.0162(16) . ?
N1 C5 1.344(2) . ?
N1 C2 1.398(2) . ?
N2 C9 1.342(2) . ?
N2 C6 1.395(2) . ?
C2 C1 1.406(2) . ?
C2 C3 1.412(3) . ?
C26 C27 1.382(3) . ?
C26 C25 1.406(3) . ?
C26 C32 1.501(3) . ?
C10 C16 1.394(3) . ?
C10 C11 1.401(3) . ?
C10 C5 1.483(3) . ?
C25 C30 1.409(3) . ?
C25 C9 1.474(3) . ?
C6 C1 1.400(3) . ?
C6 C7 1.416(3) . ?
C1 C19 1.487(3) . ?
C9 C8 1.417(3) . ?
C5 C4 1.402(3) . ?
C27 C28 1.379(3) . ?
C27 H27 0.9300 . ?
C8 C7 1.372(3) . ?
C8 H8 0.9300 . ?
C11 C13 1.393(3) . ?
C11 C12 1.507(3) . ?
C3 C4 1.377(3) . ?
C3 H3 0.9300 . ?
C19 C24 1.391(3) . ?
C19 C20 1.396(3) . ?
C7 H7 0.9300 . ?
C14 C15 1.370(3) . ?
C14 C13 1.377(4) . ?
C14 C18 1.518(3) . ?
C13 H13 0.9300 . ?
C24 C23 1.382(3) . ?
C24 H24 0.9300 . ?
C16 C15 1.397(3) . ?
C16 C17 1.516(3) . ?
C15 H15 0.9300 . ?
C34 C35 1.339(4) . ?
C34 C39 1.387(4) . ?
C4 H4 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C30 C29 1.398(3) . ?
C30 C31 1.505(3) . ?
C28 C29 1.363(4) . ?
C28 C33 1.517(3) . ?
C23 C22 1.378(4) . ?
C23 H23 0.9300 . ?
C20 C21 1.376(3) . ?
C20 H20 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C22 C21 1.381(4) . ?
C22 H22 0.9300 . ?
C29 H29 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C21 H21 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C39 C38 1.404(5) . ?
C39 H39 0.9300 . ?
C38 C37 1.401(5) . ?
C38 H38 0.9300 . ?
C37 C36 1.297(6) . ?
C37 H37 0.9300 . ?
C35 C36 1.376(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
