#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/31/2223152.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_2223152
loop_
_publ_author_name
'Amadoruge, Monika L.'
'Rheingold, Arnold L.'
'Weinert, Charles S.'
_publ_section_title
;
 2,2,3,3,5,5,6,6-Octa-p-tolyl-1,4-dioxa-2,3,5,6-tetragermacyclohexane
 dichloromethane disolvate
;
_journal_coeditor_code           LH2875
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2186
_journal_paper_doi               10.1107/S1600536809032012
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C56 H56 Ge4 O2, 2C H2 Cl2'
_chemical_formula_moiety         'C56 H56 Ge4 O2, 2(C H2 Cl2)'
_chemical_formula_sum            'C58 H60 Cl4 Ge4 O2'
_chemical_formula_weight         1221.22
_chemical_name_systematic
;
2,2,3,3,5,5,6,6-Octa-p-tolyl-1,4-dioxa-2,3,5,6-
tetragermacyclohexane dichloromethane disolvate
;
_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                110.9410(10)
_cell_angle_beta                 94.7660(10)
_cell_angle_gamma                109.0690(10)
_cell_formula_units_Z            1
_cell_length_a                   10.7810(10)
_cell_length_b                   11.9050(10)
_cell_length_c                   12.2950(10)
_cell_measurement_reflns_used    3385
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.46
_cell_measurement_theta_min      2.42
_cell_volume                     1356.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12912
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    2.432
_exptl_absorpt_correction_T_max  0.558
_exptl_absorpt_correction_T_min  0.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.687
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.085P)²+1.7P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                4484
_reflns_number_total             5003
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2875.cif
_cod_data_source_block           I
_cod_database_code               2223152
_cod_database_fobs_code          2223152
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
Ge Ge1 -0.13908(3) -0.12172(3) 0.54987(3) 0.01478(13) Uani d . 1 . .
Ge Ge2 0.05411(3) -0.15168(3) 0.47168(3) 0.01465(13) Uani d . 1 . .
Cl Cl1 -0.42422(12) -0.66017(13) 0.12064(10) 0.0504(3) Uani d . 1 . .
Cl Cl2 -0.34737(13) -0.62602(13) 0.36550(12) 0.0487(3) Uani d . 1 . .
O O1 -0.0976(2) 0.0503(2) 0.6079(2) 0.0176(5) Uani d . 1 . .
C C11 -0.3071(3) -0.2118(3) 0.4277(3) 0.0159(7) Uani d . 1 . .
C C12 -0.4291(4) -0.2575(3) 0.4579(3) 0.0186(7) Uani d . 1 . .
H H12A -0.4300 -0.2533 0.5365 0.022 Uiso calc R 1 . .
C C13 -0.5499(4) -0.3096(3) 0.3745(3) 0.0202(7) Uani d . 1 . .
H H13A -0.6325 -0.3394 0.3973 0.024 Uiso calc R 1 . .
C C14 -0.5521(4) -0.3189(3) 0.2584(3) 0.0207(7) Uani d . 1 . .
C C15 -0.4299(4) -0.2780(3) 0.2270(3) 0.0216(8) Uani d . 1 . .
H H15A -0.4297 -0.2860 0.1473 0.026 Uiso calc R 1 . .
C C16 -0.3080(4) -0.2255(3) 0.3089(3) 0.0179(7) Uani d . 1 . .
H H16A -0.2255 -0.1990 0.2850 0.022 Uiso calc R 1 . .
C C17 -0.6840(4) -0.3656(4) 0.1715(4) 0.0301(9) Uani d . 1 . .
H H17A -0.6664 -0.3662 0.0944 0.045 Uiso calc R 1 . .
H H17B -0.7309 -0.3071 0.2029 0.045 Uiso calc R 1 . .
H H17C -0.7403 -0.4539 0.1606 0.045 Uiso calc R 1 . .
C C21 -0.1694(3) -0.1603(3) 0.6886(3) 0.0171(7) Uani d . 1 . .
C C22 -0.2246(4) -0.2883(4) 0.6779(3) 0.0227(8) Uani d . 1 . .
H H22A -0.2491 -0.3583 0.6014 0.027 Uiso calc R 1 . .
C C23 -0.2442(4) -0.3144(4) 0.7784(3) 0.0259(8) Uani d . 1 . .
H H23A -0.2830 -0.4021 0.7695 0.031 Uiso calc R 1 . .
C C24 -0.2076(4) -0.2135(4) 0.8919(3) 0.0240(8) Uani d . 1 . .
C C25 -0.1539(4) -0.0865(4) 0.9010(3) 0.0238(8) Uani d . 1 . .
H H25A -0.1294 -0.0162 0.9773 0.029 Uiso calc R 1 . .
C C26 -0.1353(4) -0.0601(4) 0.8020(3) 0.0214(7) Uani d . 1 . .
H H26A -0.0987 0.0278 0.8110 0.026 Uiso calc R 1 . .
C C27 -0.2218(5) -0.2411(5) 1.0016(4) 0.0352(10) Uani d . 1 . .
H H27A -0.1859 -0.1589 1.0729 0.053 Uiso calc R 1 . .
H H27B -0.1715 -0.2951 1.0064 0.053 Uiso calc R 1 . .
H H27C -0.3171 -0.2873 0.9967 0.053 Uiso calc R 1 . .
C C31 0.2103(3) -0.1027(3) 0.5950(3) 0.0161(7) Uani d . 1 . .
C C32 0.3365(4) -0.0790(3) 0.5677(3) 0.0204(7) Uani d . 1 . .
H H32A 0.3441 -0.0910 0.4882 0.024 Uiso calc R 1 . .
C C33 0.4503(4) -0.0386(4) 0.6537(3) 0.0215(7) Uani d . 1 . .
H H33A 0.5353 -0.0224 0.6327 0.026 Uiso calc R 1 . .
C C34 0.4436(4) -0.0209(3) 0.7708(3) 0.0203(7) Uani d . 1 . .
C C35 0.3173(4) -0.0456(4) 0.7987(3) 0.0220(8) Uani d . 1 . .
H H35A 0.3103 -0.0356 0.8778 0.026 Uiso calc R 1 . .
C C36 0.2015(4) -0.0846(4) 0.7134(3) 0.0215(8) Uani d . 1 . .
H H36A 0.1168 -0.0990 0.7348 0.026 Uiso calc R 1 . .
C C37 0.5681(4) 0.0202(4) 0.8630(4) 0.0298(9) Uani d . 1 . .
H H37A 0.5444 0.0278 0.9398 0.045 Uiso calc R 1 . .
H H37B 0.6327 0.1046 0.8715 0.045 Uiso calc R 1 . .
H H37C 0.6087 -0.0449 0.8379 0.045 Uiso calc R 1 . .
C C41 0.0141(3) -0.3236(3) 0.3480(3) 0.0168(7) Uani d . 1 . .
C C42 -0.0299(4) -0.3508(3) 0.2284(3) 0.0192(7) Uani d . 1 . .
H H42A -0.0363 -0.2836 0.2066 0.023 Uiso calc R 1 . .
C C43 -0.0646(4) -0.4758(4) 0.1403(3) 0.0207(7) Uani d . 1 . .
H H43A -0.0940 -0.4926 0.0590 0.025 Uiso calc R 1 . .
C C44 -0.0568(3) -0.5761(3) 0.1697(3) 0.0223(8) Uani d . 1 . .
C C45 -0.0114(4) -0.5482(4) 0.2895(3) 0.0234(8) Uani d . 1 . .
H H45A -0.0049 -0.6155 0.3111 0.028 Uiso calc R 1 . .
C C46 0.0242(4) -0.4241(3) 0.3776(3) 0.0196(7) Uani d . 1 . .
H H46A 0.0557 -0.4070 0.4586 0.023 Uiso calc R 1 . .
C C47 -0.0987(4) -0.7119(4) 0.0750(4) 0.0312(9) Uani d . 1 . .
H H47A -0.1281 -0.7134 -0.0032 0.047 Uiso calc R 1 . .
H H47B -0.1731 -0.7716 0.0926 0.047 Uiso calc R 1 . .
H H47C -0.0222 -0.7393 0.0741 0.047 Uiso calc R 1 . .
C C51 -0.3605(4) -0.5477(4) 0.2705(4) 0.0302(9) Uani d . 1 . .
H H51A -0.2705 -0.4833 0.2789 0.036 Uiso calc R 1 . .
H H51B -0.4207 -0.5003 0.2944 0.036 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'
Ge Ge 0.1547 1.8001 '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'
Cl Cl 0.1484 0.1585 '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
O1 Ge1 C21 . . 102.60(10) n
O1 Ge1 C11 . . 109.60(10) n
C21 Ge1 C11 . . 109.10(10) n
O1 Ge1 Ge2 . . 104.82(8) n
C21 Ge1 Ge2 . . 116.80(10) n
C11 Ge1 Ge2 . . 113.10(10) n
O1 Ge2 C41 2_556 . 102.30(10) n
O1 Ge2 C31 2_556 . 108.80(10) n
C41 Ge2 C31 . . 110.50(10) n
O1 Ge2 Ge1 2_556 . 106.20(8) n
C41 Ge2 Ge1 . . 114.50(10) n
C31 Ge2 Ge1 . . 113.70(10) n
Ge2 O1 Ge1 2_556 . 126.70(10) n
C12 C11 C16 . . 118.6(3) ?
C12 C11 Ge1 . . 120.3(2) ?
C16 C11 Ge1 . . 121.0(3) ?
C13 C12 C11 . . 120.7(3) ?
C12 C13 C14 . . 121.1(3) ?
C13 C14 C15 . . 118.1(3) ?
C13 C14 C17 . . 120.6(3) ?
C15 C14 C17 . . 121.2(3) ?
C16 C15 C14 . . 121.7(3) ?
C15 C16 C11 . . 119.6(3) ?
C26 C21 C22 . . 118.2(3) ?
C26 C21 Ge1 . . 120.6(3) ?
C22 C21 Ge1 . . 121.2(3) ?
C21 C22 C23 . . 120.5(3) ?
C22 C23 C24 . . 120.9(4) ?
C25 C24 C23 . . 117.8(3) ?
C25 C24 C27 . . 121.0(4) ?
C23 C24 C27 . . 121.2(4) ?
C26 C25 C24 . . 121.5(3) ?
C25 C26 C21 . . 121.0(3) ?
C32 C31 C36 . . 118.4(3) ?
C32 C31 Ge2 . . 119.4(2) ?
C36 C31 Ge2 . . 122.2(3) ?
C33 C32 C31 . . 121.1(3) ?
C32 C33 C34 . . 121.3(3) ?
C33 C34 C35 . . 117.9(3) ?
C33 C34 C37 . . 120.8(3) ?
C35 C34 C37 . . 121.3(3) ?
C36 C35 C34 . . 121.6(3) ?
C35 C36 C31 . . 119.7(3) ?
C42 C41 C46 . . 118.6(3) ?
C42 C41 Ge2 . . 120.6(3) ?
C46 C41 Ge2 . . 120.8(2) ?
C41 C42 C43 . . 120.6(3) ?
C44 C43 C42 . . 120.9(3) ?
C43 C44 C45 . . 118.3(3) ?
C43 C44 C47 . . 120.9(3) ?
C45 C44 C47 . . 120.7(3) ?
C46 C45 C44 . . 121.1(3) ?
C45 C46 C41 . . 120.5(3) ?
Cl2 C51 Cl1 . . 111.2(2) ?
C11 C12 H12A . . 119.6 ?
H12A C12 C13 . . 119.7 ?
C12 C13 H13A . . 119.4 ?
H13A C13 C14 . . 119.5 ?
C14 C15 H15A . . 119.1 ?
C14 C15 C16 . . 121.7 ?
H15A C15 C16 . . 119.2 ?
C11 C16 H16A . . 120.1 ?
C15 C16 H16A . . 120.2 ?
C14 C17 H17A . . 109.4 ?
C14 C17 H17B . . 109.5 ?
C14 C17 H17C . . 109.5 ?
H17A C17 H17B . . 109.5 ?
H17A C17 H17C . . 109.4 ?
H17B C17 H17C . . 109.5 ?
C21 C22 H22A . . 119.7 ?
H22A C22 C23 . . 119.8 ?
C22 C23 H23A . . 119.5 ?
H23A C23 C24 . . 119.5 ?
C24 C25 H25A . . 119.3 ?
H25A C25 C26 . . 119.2 ?
C21 C26 H26A . . 119.4 ?
C25 C26 H26A . . 119.6 ?
C24 C27 H27A . . 109.4 ?
C24 C27 H27B . . 109.4 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27B . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C31 C32 H32A . . 119.4 ?
H32A C32 C33 . . 119.5 ?
C32 C33 H33A . . 119.3 ?
H33A C33 C34 . . 119.3 ?
C34 C35 H35A . . 119.2 ?
H35A C35 C36 . . 119.2 ?
C31 C36 H36A . . 120.2 ?
C35 C36 H36A . . 120.1 ?
C34 C37 H37A . . 109.5 ?
C34 C37 H37B . . 109.5 ?
C34 C37 H37C . . 109.5 ?
H37A C37 H37B . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.4 ?
C41 C42 H42A . . 119.7 ?
H42A C42 C43 . . 119.8 ?
C42 C43 H43A . . 119.5 ?
H43A C43 C44 . . 119.6 ?
C44 C45 H45A . . 119.4 ?
H45A C45 C46 . . 119.4 ?
C41 C46 H46A . . 119.8 ?
C45 C46 H46A . . 119.8 ?
C44 C47 H47A . . 109.5 ?
C44 C47 H47B . . 109.4 ?
C44 C47 H47C . . 109.5 ?
H47A C47 H47B . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.4 ?
C11 C12 H12A . . 119.6 ?
H12A C12 C13 . . 119.7 ?
C12 C13 H13A . . 119.4 ?
H13A C13 C14 . . 119.5 ?
C14 C15 H15A . . 119.1 ?
H15A C15 C16 . . 119.2 ?
C11 C16 H16A . . 120.1 ?
C15 C16 H16A . . 120.2 ?
C14 C17 H17A . . 109.4 ?
C14 C17 H17B . . 109.5 ?
C14 C17 H17C . . 109.5 ?
H17A C17 H17B . . 109.5 ?
H17A C17 H17C . . 109.4 ?
H17B C17 H17C . . 109.5 ?
C21 C22 H22A . . 119.7 ?
H22A C22 C23 . . 119.8 ?
C22 C23 H23A . . 119.5 ?
H23A C23 C24 . . 119.5 ?
C24 C25 H25A . . 119.3 ?
H25A C25 C26 . . 119.2 ?
C21 C26 H26A . . 119.4 ?
C25 C26 H26A . . 119.6 ?
C24 C27 H27A . . 109.4 ?
C24 C27 H27B . . 109.4 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27B . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C31 C32 H32A . . 119.4 ?
H32A C32 C33 . . 119.5 ?
C32 C33 H33A . . 119.3 ?
H33A C33 C34 . . 119.3 ?
C34 C35 H35A . . 119.2 ?
H35A C35 C36 . . 119.2 ?
C31 C36 H36A . . 120.2 ?
C35 C36 H36A . . 120.1 ?
C34 C37 H37A . . 109.5 ?
C34 C37 H37B . . 109.5 ?
C34 C37 H37C . . 109.5 ?
H37A C37 H37B . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.4 ?
C41 C42 H42A . . 119.7 ?
H42A C42 C43 . . 119.8 ?
C42 C43 H43A . . 119.5 ?
H43A C43 C44 . . 119.6 ?
C44 C45 H45A . . 119.4 ?
H45A C45 C46 . . 119.4 ?
C41 C46 H46A . . 119.8 ?
C45 C46 H46A . . 119.8 ?
C44 C47 H47A . . 109.5 ?
C44 C47 H47B . . 109.4 ?
C44 C47 H47C . . 109.5 ?
H47A C47 H47B . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.4 ?
Cl1 C51 H51A . . 109.4 ?
Cl1 C51 H51B . . 109.5 ?
Cl2 C51 H51A . . 109.4 ?
Cl2 C51 H51B . . 109.4 ?
H51A C51 H51B . . 108.0 ?
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
Ge1 O1 . 1.790(2) n
Ge1 C21 . 1.945(3) n
Ge1 C11 . 1.953(3) n
Ge1 Ge2 . 2.4418(5) n
Ge2 O1 2_556 1.785(2) n
Ge2 C41 . 1.944(3) n
Ge2 C31 . 1.943(3) n
Cl1 C51 . 1.756(4) ?
Cl2 C51 . 1.758(4) ?
O1 Ge2 2_556 1.785(2) ?
C11 C12 . 1.386(5) ?
C11 C16 . 1.410(5) ?
C12 C13 . 1.389(5) ?
C13 C14 . 1.389(5) ?
C14 C15 . 1.387(5) ?
C14 C17 . 1.510(5) ?
C15 C16 . 1.388(5) ?
C21 C26 . 1.393(5) ?
C21 C22 . 1.394(5) ?
C22 C23 . 1.394(5) ?
C23 C24 . 1.395(6) ?
C24 C25 . 1.390(5) ?
C24 C27 . 1.505(5) ?
C25 C26 . 1.376(5) ?
C31 C32 . 1.391(5) ?
C31 C36 . 1.410(5) ?
C32 C33 . 1.375(5) ?
C33 C34 . 1.390(5) ?
C34 C35 . 1.395(5) ?
C34 C37 . 1.500(5) ?
C35 C36 . 1.388(5) ?
C41 C42 . 1.391(5) ?
C41 C46 . 1.402(5) ?
C42 C43 . 1.394(5) ?
C43 C44 . 1.391(5) ?
C44 C45 . 1.395(5) ?
C44 C47 . 1.505(5) ?
C45 C46 . 1.386(5) ?
C12 H12A . 0.951 ?
C13 H13A . 0.951 ?
C15 H15A . 0.950 ?
C16 H16A . 0.950 ?
C17 H17A . 0.980 ?
C17 H17B . 0.980 ?
C17 H17C . 0.980 ?
C22 H22A . 0.951 ?
C23 H23A . 0.950 ?
C25 H25A . 0.950 ?
C26 H26A . 0.950 ?
C27 H27A . 0.979 ?
C27 H27B . 0.980 ?
C27 H27C . 0.979 ?
C32 H32A . 0.951 ?
C33 H33A . 0.950 ?
C35 H35A . 0.949 ?
C36 H36A . 0.950 ?
C37 H37A . 0.979 ?
C37 H37B . 0.980 ?
C37 H37C . 0.980 ?
C42 H42A . 0.950 ?
C43 H43A . 0.950 ?
C45 H45A . 0.950 ?
C46 H46A . 0.950 ?
C47 H47A . 0.979 ?
C47 H47B . 0.981 ?
C47 H47C . 0.981 ?
C12 H12A . 0.951 ?
C13 H13A . 0.951 ?
C15 H15A . 0.950 ?
C16 H16A . 0.950 ?
C17 H17A . 0.980 ?
C17 H17B . 0.980 ?
C17 H17C . 0.980 ?
C22 H22A . 0.951 ?
C23 H23A . 0.950 ?
C25 H25A . 0.950 ?
C26 H26A . 0.950 ?
C27 H27A . 0.979 ?
C27 H27B . 0.980 ?
C27 H27C . 0.979 ?
C32 H32A . 0.951 ?
C33 H33A . 0.950 ?
C35 H35A . 0.949 ?
C36 H36A . 0.950 ?
C37 H37A . 0.979 ?
C37 H37B . 0.980 ?
C37 H37C . 0.980 ?
C42 H42A . 0.950 ?
C43 H43A . 0.950 ?
C45 H45A . 0.950 ?
C46 H46A . 0.950 ?
C47 H47A . 0.979 ?
C47 H47B . 0.981 ?
C47 H47C . 0.981 ?
C51 H51A . 0.990 ?
C51 H51B . 0.989 ?
