#------------------------------------------------------------------------------
#$Date: 2019-11-24 01:10:32 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235921 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/37/1553705.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_1553705
loop_
_publ_author_name
'Shimizu, Masaki'
'Kinoshita, Takumi'
'Shigitani, Ryosuke'
'Miyake, Yusuke'
'Tajima, Kunihiko'
_publ_section_title
;
 Use of silylmethoxy groups as inducers of efficient room temperature
 phosphorescence from precious-metal-free organic luminophores
;
_journal_issue                   2
_journal_name_full               'Materials Chemistry Frontiers'
_journal_page_first              347
_journal_paper_doi               10.1039/C7QM00524E
_journal_volume                  2
_journal_year                    2018
_chemical_formula_sum            'C34 H46 O4 Si2'
_chemical_formula_weight         574.89
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2017-08-25 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                111.511(2)
_cell_angle_beta                 104.200(2)
_cell_angle_gamma                100.188(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0255(8)
_cell_length_b                   15.7261(15)
_cell_length_c                   15.9887(15)
_cell_measurement_reflns_used    3362
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      24.66
_cell_measurement_theta_min      2.46
_cell_volume                     1738.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9470
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_T_max  0.9607
_exptl_absorpt_correction_T_min  0.9358
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.098
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             620
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.062
_refine_diff_density_min         -0.466
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6360
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1515P)²+0.4333P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2228
_refine_ls_wR_factor_ref         0.2361
_reflns_number_gt                4935
_reflns_number_total             6360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7qm00524e2.cif
_cod_data_source_block           5knt
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1553705
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
Si1 Si 0.73513(11) 0.56237(6) 0.36774(5) 0.0608(3) Uani 1 1 d .
O4 O 0.6118(4) 0.50588(16) 0.17928(13) 0.0829(7) Uani 1 1 d .
C12 C 0.7366(4) 0.33801(18) 0.08001(18) 0.0559(6) Uani 1 1 d .
C9 C 0.5576(4) 0.5075(2) 0.09242(17) 0.0588(7) Uani 1 1 d .
C10 C 0.5257(3) 0.42105(18) 0.01513(17) 0.0536(6) Uani 1 1 d .
C8 C 0.5323(4) 0.58618(19) 0.07697(18) 0.0593(7) Uani 1 1 d .
H8 H 0.5544 0.6442 0.1287 0.071 Uiso 1 1 calc R
C7 C 0.6332(5) 0.5869(2) 0.26186(19) 0.0698(8) Uani 1 1 d .
H7A H 0.5177 0.5977 0.2615 0.084 Uiso 1 1 calc R
H7B H 0.7120 0.6432 0.2650 0.084 Uiso 1 1 calc R
C11 C 0.5520(4) 0.33516(19) 0.03108(19) 0.0590(6) Uani 1 1 d .
O2 O 0.4243(3) 0.26438(17) 0.0010(2) 0.0968(8) Uani 1 1 d .
C2 C 0.7018(5) 0.6524(2) 0.4741(2) 0.0730(8) Uani 1 1 d .
C17 C 0.8848(4) 0.4044(2) 0.0895(2) 0.0714(8) Uani 1 1 d .
H17 H 0.8697 0.4500 0.0666 0.086 Uiso 1 1 calc R
C13 C 0.7609(5) 0.2711(2) 0.1162(2) 0.0722(8) Uani 1 1 d .
H13 H 0.6620 0.2258 0.1107 0.087 Uiso 1 1 calc R
C14 C 0.9339(6) 0.2728(3) 0.1606(3) 0.0922(12) Uani 1 1 d .
H14 H 0.9507 0.2285 0.1851 0.111 Uiso 1 1 calc R
C1 C 0.7979(7) 0.6427(3) 0.5645(2) 0.1068(14) Uani 1 1 d .
H1A H 0.9218 0.6484 0.5704 0.160 Uiso 1 1 calc R
H1B H 0.7410 0.5813 0.5599 0.160 Uiso 1 1 calc R
H1C H 0.7910 0.6922 0.6195 0.160 Uiso 1 1 calc R
C6 C 0.6284(7) 0.4371(3) 0.3416(3) 0.1013(13) Uani 1 1 d .
H6A H 0.6304 0.3952 0.2808 0.152 Uiso 1 1 calc R
H6B H 0.5061 0.4293 0.3400 0.152 Uiso 1 1 calc R
H6C H 0.6933 0.4219 0.3905 0.152 Uiso 1 1 calc R
C15 C 1.0784(6) 0.3381(3) 0.1685(3) 0.1021(14) Uani 1 1 d .
H15 H 1.1936 0.3382 0.1984 0.123 Uiso 1 1 calc R
C16 C 1.0569(5) 0.4039(3) 0.1330(3) 0.0975(12) Uani 1 1 d .
H16 H 1.1569 0.4481 0.1379 0.117 Uiso 1 1 calc R
C3 C 0.7758(6) 0.7539(2) 0.4846(3) 0.1012(13) Uani 1 1 d .
H3A H 0.7720 0.7995 0.5431 0.152 Uiso 1 1 calc R
H3B H 0.7038 0.7614 0.4316 0.152 Uiso 1 1 calc R
H3C H 0.8979 0.7643 0.4855 0.152 Uiso 1 1 calc R
C5 C 0.9776(5) 0.5772(4) 0.3848(3) 0.1098(14) Uani 1 1 d .
H5A H 1.0316 0.5644 0.4378 0.165 Uiso 1 1 calc R
H5B H 1.0364 0.6416 0.3976 0.165 Uiso 1 1 calc R
H5C H 0.9902 0.5334 0.3280 0.165 Uiso 1 1 calc R
C4 C 0.4986(6) 0.6337(4) 0.4592(3) 0.1165(15) Uani 1 1 d .
H4A H 0.4499 0.5712 0.4546 0.175 Uiso 1 1 calc R
H4B H 0.4380 0.6372 0.4013 0.175 Uiso 1 1 calc R
H4C H 0.4818 0.6810 0.5123 0.175 Uiso 1 1 calc R
Si2 Si 0.18885(12) 0.81134(6) 0.21471(6) 0.0656(3) Uani 1 1 d .
O3 O 0.1183(2) 0.93332(12) 0.13421(12) 0.0562(5) Uani 1 1 d .
C26 C 0.0564(3) 0.96189(16) 0.06423(16) 0.0451(5) Uani 1 1 d .
C27 C 0.1417(3) 1.05615(15) 0.08468(16) 0.0442(5) Uani 1 1 d .
C25 C -0.0844(3) 0.90590(16) -0.02104(17) 0.0464(5) Uani 1 1 d .
H25 H -0.1405 0.8427 -0.0355 0.056 Uiso 1 1 calc R
C28 C 0.2945(3) 1.11780(17) 0.17670(18) 0.0526(6) Uani 1 1 d .
C29 C 0.4662(3) 1.09374(18) 0.19281(18) 0.0534(6) Uani 1 1 d .
C24 C 0.0606(4) 0.83402(19) 0.1131(2) 0.0622(7) Uani 1 1 d .
H24A H 0.0802 0.7962 0.0550 0.075 Uiso 1 1 calc R
H24B H -0.0672 0.8145 0.1028 0.075 Uiso 1 1 calc R
O1 O 0.2774(3) 1.18845(16) 0.23427(16) 0.0924(8) Uani 1 1 d .
C30 C 0.4969(4) 1.0220(2) 0.1213(2) 0.0679(8) Uani 1 1 d .
H30 H 0.4068 0.9864 0.0621 0.082 Uiso 1 1 calc R
C19 C 0.1595(5) 0.8829(2) 0.3304(2) 0.0794(9) Uani 1 1 d .
C22 C 0.0944(6) 0.6796(2) 0.1756(3) 0.0976(12) Uani 1 1 d .
H22A H 0.1588 0.6616 0.2223 0.146 Uiso 1 1 calc R
H22B H 0.1067 0.6449 0.1152 0.146 Uiso 1 1 calc R
H22C H -0.0306 0.6650 0.1695 0.146 Uiso 1 1 calc R
C34 C 0.5998(4) 1.1449(3) 0.2810(3) 0.0862(10) Uani 1 1 d .
H34 H 0.5805 1.1919 0.3303 0.103 Uiso 1 1 calc R
C20 C -0.0451(7) 0.8641(4) 0.3143(4) 0.1309(18) Uani 1 1 d .
H20A H -0.0623 0.8944 0.3744 0.196 Uiso 1 1 calc R
H20B H -0.1026 0.7965 0.2868 0.196 Uiso 1 1 calc R
H20C H -0.0968 0.8899 0.2718 0.196 Uiso 1 1 calc R
C18 C 0.2537(8) 0.8523(4) 0.4077(3) 0.1265(18) Uani 1 1 d .
H18A H 0.3777 0.8604 0.4127 0.190 Uiso 1 1 calc R
H18B H 0.1950 0.7863 0.3896 0.190 Uiso 1 1 calc R
H18C H 0.2464 0.8913 0.4682 0.190 Uiso 1 1 calc R
C31 C 0.6618(5) 1.0033(3) 0.1379(3) 0.0942(12) Uani 1 1 d .
H31 H 0.6820 0.9548 0.0904 0.113 Uiso 1 1 calc R
C21 C 0.2515(7) 0.9897(3) 0.3661(3) 0.1032(13) Uani 1 1 d .
H21A H 0.2476 1.0242 0.4288 0.155 Uiso 1 1 calc R
H21B H 0.1899 1.0127 0.3232 0.155 Uiso 1 1 calc R
H21C H 0.3744 0.9993 0.3686 0.155 Uiso 1 1 calc R
C23 C 0.4339(5) 0.8404(3) 0.2278(3) 0.0990(12) Uani 1 1 d .
H23A H 0.4856 0.9086 0.2556 0.148 Uiso 1 1 calc R
H23B H 0.4461 0.8124 0.1661 0.148 Uiso 1 1 calc R
H23C H 0.4950 0.8151 0.2683 0.148 Uiso 1 1 calc R
C32 C 0.7927(5) 1.0563(4) 0.2240(4) 0.1154(16) Uani 1 1 d .
H32 H 0.9042 1.0450 0.2345 0.138 Uiso 1 1 calc R
C33 C 0.7645(5) 1.1250(4) 0.2948(4) 0.1185(17) Uani 1 1 d .
H33 H 0.8560 1.1596 0.3537 0.142 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'
Si Si 0.0817 0.0704 '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
C6 Si1 C5 107.6(2) .
C6 Si1 C2 113.21(16) .
C5 Si1 C2 111.5(2) .
C6 Si1 C7 109.72(17) .
C5 Si1 C7 108.12(18) .
C2 Si1 C7 106.61(14) .
C9 O4 C7 119.5(2) .
C17 C12 C13 119.1(3) .
C17 C12 C11 121.4(2) .
C13 C12 C11 119.4(3) .
O4 C9 C8 125.5(2) .
O4 C9 C10 114.7(2) .
C8 C9 C10 119.8(2) .
C8 C10 C9 119.8(2) 2_665
C8 C10 C11 120.0(2) 2_665
C9 C10 C11 120.2(2) .
C10 C8 C9 120.4(2) 2_665
C10 C8 H8 119.8 2_665
C9 C8 H8 119.8 .
O4 C7 Si1 106.82(19) .
O4 C7 H7A 110.4 .
Si1 C7 H7A 110.4 .
O4 C7 H7B 110.4 .
Si1 C7 H7B 110.4 .
H7A C7 H7B 108.6 .
O2 C11 C12 121.7(2) .
O2 C11 C10 120.0(2) .
C12 C11 C10 118.3(2) .
C3 C2 C1 110.5(3) .
C3 C2 C4 107.9(3) .
C1 C2 C4 109.6(3) .
C3 C2 Si1 110.1(2) .
C1 C2 Si1 109.2(2) .
C4 C2 Si1 109.6(2) .
C12 C17 C16 120.5(3) .
C12 C17 H17 119.7 .
C16 C17 H17 119.7 .
C14 C13 C12 119.4(3) .
C14 C13 H13 120.3 .
C12 C13 H13 120.3 .
C15 C14 C13 120.7(3) .
C15 C14 H14 119.7 .
C13 C14 H14 119.7 .
C2 C1 H1A 109.5 .
C2 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
C2 C1 H1C 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
Si1 C6 H6A 109.5 .
Si1 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
Si1 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C14 C15 C16 120.7(3) .
C14 C15 H15 119.7 .
C16 C15 H15 119.7 .
C15 C16 C17 119.6(4) .
C15 C16 H16 120.2 .
C17 C16 H16 120.2 .
C2 C3 H3A 109.5 .
C2 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C2 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
Si1 C5 H5A 109.5 .
Si1 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
Si1 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C2 C4 H4A 109.5 .
C2 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C2 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C22 Si2 C19 111.19(17) .
C22 Si2 C23 109.6(2) .
C19 Si2 C23 110.08(19) .
C22 Si2 C24 104.49(15) .
C19 Si2 C24 112.21(15) .
C23 Si2 C24 109.10(17) .
C26 O3 C24 118.93(18) .
O3 C26 C25 125.1(2) .
O3 C26 C27 115.34(19) .
C25 C26 C27 119.6(2) .
C25 C27 C26 120.3(2) 2_575
C25 C27 C28 119.4(2) 2_575
C26 C27 C28 120.3(2) .
C27 C25 C26 120.1(2) 2_575
C27 C25 H25 119.9 2_575
C26 C25 H25 119.9 .
O1 C28 C29 121.3(2) .
O1 C28 C27 119.4(2) .
C29 C28 C27 119.2(2) .
C34 C29 C30 119.3(3) .
C34 C29 C28 118.9(3) .
C30 C29 C28 121.7(2) .
O3 C24 Si2 110.45(17) .
O3 C24 H24A 109.6 .
Si2 C24 H24A 109.6 .
O3 C24 H24B 109.6 .
Si2 C24 H24B 109.6 .
H24A C24 H24B 108.1 .
C29 C30 C31 120.2(3) .
C29 C30 H30 119.9 .
C31 C30 H30 119.9 .
C21 C19 C20 110.5(3) .
C21 C19 C18 107.0(3) .
C20 C19 C18 111.4(4) .
C21 C19 Si2 110.7(3) .
C20 C19 Si2 108.6(3) .
C18 C19 Si2 108.7(3) .
Si2 C22 H22A 109.5 .
Si2 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
Si2 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C29 C34 C33 118.9(4) .
C29 C34 H34 120.6 .
C33 C34 H34 120.6 .
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 .
C19 C18 H18A 109.5 .
C19 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C19 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C32 C31 C30 119.4(4) .
C32 C31 H31 120.3 .
C30 C31 H31 120.3 .
C19 C21 H21A 109.5 .
C19 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C19 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
Si2 C23 H23A 109.5 .
Si2 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
Si2 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C33 C32 C31 121.3(3) .
C33 C32 H32 119.4 .
C31 C32 H32 119.4 .
C32 C33 C34 120.8(4) .
C32 C33 H33 119.6 .
C34 C33 H33 119.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C6 1.847(4) .
Si1 C5 1.857(4) .
Si1 C2 1.887(3) .
Si1 C7 1.896(3) .
O4 C9 1.361(3) .
O4 C7 1.405(3) .
C12 C17 1.372(4) .
C12 C13 1.394(4) .
C12 C11 1.480(4) .
C9 C8 1.386(4) .
C9 C10 1.389(4) .
C10 C8 1.386(3) 2_665
C10 C11 1.504(4) .
C8 C10 1.386(3) 2_665
C8 H8 0.9300 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C11 O2 1.217(4) .
C2 C3 1.532(5) .
C2 C1 1.537(5) .
C2 C4 1.546(5) .
C17 C16 1.388(4) .
C17 H17 0.9300 .
C13 C14 1.386(5) .
C13 H13 0.9300 .
C14 C15 1.351(6) .
C14 H14 0.9300 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C15 C16 1.369(6) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
Si2 C22 1.876(3) .
Si2 C19 1.878(4) .
Si2 C23 1.879(4) .
Si2 C24 1.887(3) .
O3 C26 1.369(3) .
O3 C24 1.431(3) .
C26 C25 1.387(3) .
C26 C27 1.396(3) .
C27 C25 1.384(3) 2_575
C27 C28 1.502(3) .
C25 C27 1.384(3) 2_575
C25 H25 0.9300 .
C28 O1 1.211(3) .
C28 C29 1.480(3) .
C29 C34 1.380(4) .
C29 C30 1.390(4) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C30 C31 1.390(4) .
C30 H30 0.9300 .
C19 C21 1.531(5) .
C19 C20 1.554(6) .
C19 C18 1.561(5) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C34 C33 1.395(6) .
C34 H34 0.9300 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C31 C32 1.353(6) .
C31 H31 0.9300 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C32 C33 1.347(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
