#------------------------------------------------------------------------------
#$Date: 2020-09-22 02:05:55 +0300 (Tue, 22 Sep 2020) $
#$Revision: 256582 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/91/1559129.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_1559129
loop_
_publ_author_name
'Ohta, Shinji'
'Oshimo, Shiori'
'Ohta, Emi'
'Nehira, Tatsuo'
'Ômura, Hisashi'
'Uy, Mylene M.'
'Ishihara, Yasuhiro'
_publ_section_title
;
 Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in
 Human Neuroblastoma Cells
;
_journal_name_full               'Journal of Natural Products'
_journal_paper_doi               10.1021/acs.jnatprod.0c00574
_journal_year                    2020
_chemical_formula_sum            'C18 H13 N O5'
_chemical_formula_weight         323.29
_chemical_name_common            '5-Methoxyaristololactam I'
_chemical_name_systematic
;
8,11-dimethoxy-benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                94.952(5)
_cell_angle_beta                 110.780(4)
_cell_angle_gamma                115.495(4)
_cell_formula_units_Z            4
_cell_length_a                   10.618(3)
_cell_length_b                   12.162(4)
_cell_length_c                   13.204(4)
_cell_measurement_reflns_used    568
_cell_measurement_temperature    173
_cell_measurement_theta_max      21.2346
_cell_measurement_theta_min      2.2318
_cell_volume                     1380.0(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'APEX2(Bruker AXS)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.1158
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6883
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.72
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.98
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         4869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1670
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.1335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1680
_refine_ls_wR_factor_ref         0.2201
_reflns_number_gt                2246
_reflns_number_total             4869
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            np0c00574_si_003.cif
_cod_data_source_block           I
_cod_database_code               1559129
loop_
_space_group_symop_operation_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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O3 0.2218(4) 0.9624(3) 0.3826(3) 0.0470(10) Uani d . . . 1 . .
O O25 0.1349(4) 0.2769(3) 0.2948(3) 0.0458(10) Uani d . . . 1 . .
O O23 0.0302(4) 0.7644(3) 0.1096(3) 0.0482(11) Uani d . . . 1 . .
O O2 0.1037(4) 0.8381(3) 0.4784(3) 0.0478(10) Uani d . . . 1 . .
O O1 0.3598(4) 0.5211(3) 0.5459(3) 0.0439(10) Uani d . . . 1 . .
O O21 0.4959(4) 0.6478(3) -0.0327(3) 0.0453(10) Uani d . . . 1 . .
O O22 0.1583(4) 0.8786(3) 0.0131(3) 0.0477(10) Uani d . . . 1 . .
O O4 0.3829(4) 1.0689(3) 0.2830(3) 0.0512(11) Uani d . . . 1 . .
O O5 0.7481(4) 0.8819(4) 0.2269(3) 0.0483(11) Uani d . . . 1 . .
O O24 -0.0967(4) 0.6012(4) 0.1973(3) 0.0533(11) Uani d . . . 1 . .
N N1 0.4916(5) 0.6235(4) 0.4456(4) 0.0369(11) Uani d . . . 1 . .
N N21 0.3924(5) 0.5204(4) 0.0696(4) 0.0381(11) Uani d . . . 1 . .
C C6 0.3846(5) 0.8633(4) 0.3737(4) 0.0300(12) Uani d . . . 1 . .
C C15 0.4054(6) 0.7648(4) 0.4128(4) 0.0314(12) Uani d . . . 1 . .
C C35 0.2393(5) 0.5973(5) 0.0914(4) 0.0302(12) Uani d . . . 1 . .
C C26 0.1348(5) 0.6122(4) 0.1248(4) 0.0282(12) Uani d . . . 1 . .
C C34 0.2865(5) 0.5048(5) 0.1146(4) 0.0300(12) Uani d . . . 1 . .
C C8 0.4753(6) 1.0265(5) 0.2685(4) 0.0318(12) Uani d . . . 1 . .
C C7 0.4757(5) 0.9247(4) 0.3141(4) 0.0293(12) Uani d . . . 1 . .
C C24 0.1948(6) 0.7843(5) 0.0342(4) 0.0335(12) Uani d . . . 1 . .
C C14 0.5037(6) 0.7230(5) 0.3957(4) 0.0335(12) Uani d . . . 1 . .
C C25 0.1170(6) 0.7148(5) 0.0909(4) 0.0329(12) Uani d . . . 1 . .
C C22 0.3167(5) 0.6682(5) 0.0340(4) 0.0301(12) Uani d . . . 1 . .
C C27 0.0720(5) 0.5264(4) 0.1859(4) 0.0309(12) Uani d . . . 1 . .
C C5 0.2760(6) 0.8790(5) 0.4040(4) 0.0342(13) Uani d . . . 1 . .
C C33 0.2347(6) 0.4290(5) 0.1746(4) 0.0328(13) Uani d . . . 1 . .
C C21 0.4136(6) 0.6163(5) 0.0182(4) 0.0365(13) Uani d . . . 1 . .
C C2 0.3320(6) 0.6901(5) 0.4716(4) 0.0338(12) Uani d . . . 1 . .
C C12 0.5720(6) 0.8785(4) 0.2974(4) 0.0308(12) Uani d . . . 1 . .
C C32 0.1260(5) 0.4383(5) 0.2105(4) 0.0310(12) Uani d . . . 1 . .
C C4 0.2040(6) 0.8040(5) 0.4616(4) 0.0345(13) Uani d . . . 1 . .
C C1 0.3910(6) 0.6016(5) 0.4935(4) 0.0363(13) Uani d . . . 1 . .
C C13 0.5843(6) 0.7759(5) 0.3382(4) 0.0340(13) Uani d . . . 1 . .
C C23 0.2957(6) 0.7656(5) 0.0020(4) 0.0365(13) Uani d . . . 1 . .
C C28 -0.0380(6) 0.5223(5) 0.2243(4) 0.0320(12) Uani d . . . 1 . .
C C31 0.0725(6) 0.3559(5) 0.2737(4) 0.0350(13) Uani d . . . 1 . .
C C3 0.2270(6) 0.7085(5) 0.4976(4) 0.0356(13) Uani d . . . 1 . .
C C29 -0.0899(6) 0.4409(5) 0.2840(4) 0.0375(13) Uani d . . . 1 . .
H H29 -0.1645 0.4407 0.3078 0.045 Uiso calc U . R 1 . .
C C11 0.6589(6) 0.9335(5) 0.2376(4) 0.0367(13) Uani d . . . 1 . .
C C16 0.1140(7) 0.9382(6) 0.4291(6) 0.0406(15) Uani d . . . 1 . .
C C9 0.5619(6) 1.0776(5) 0.2124(4) 0.0387(14) Uani d . . . 1 . .
H H9 0.5585 1.1456 0.1834 0.046 Uiso calc U . R 1 . .
C C30 -0.0312(6) 0.3576(5) 0.3097(5) 0.0431(15) Uani d . . . 1 . .
C C36 0.0498(8) 0.8634(6) 0.0568(6) 0.0458(17) Uani d . . . 1 . .
C C10 0.6555(6) 1.0320(5) 0.1965(4) 0.0383(14) Uani d . . . 1 . .
C C38 0.1143(6) 0.2158(5) 0.3791(5) 0.0468(15) Uani d . . . 1 . .
H H38A 0.1628 0.1624 0.3871 0.07 Uiso calc U . R 1 . .
H H38B 0.1625 0.2801 0.4513 0.07 Uiso calc U . R 1 . .
H H38C 0.0033 0.1629 0.3573 0.07 Uiso calc U . R 1 . .
C C17 0.3810(7) 1.1745(5) 0.2401(5) 0.0583(18) Uani d . . . 1 . .
H H17A 0.3092 1.195 0.2565 0.087 Uiso calc U . R 1 . .
H H17B 0.4854 1.2487 0.2767 0.087 Uiso calc U . R 1 . .
H H17C 0.347 1.1511 0.1583 0.087 Uiso calc U . R 1 . .
C C37 -0.1998(7) 0.6066(6) 0.2426(5) 0.0569(17) Uani d . . . 1 . .
H H37A -0.2322 0.6671 0.2159 0.085 Uiso calc U . R 1 . .
H H37B -0.2912 0.5223 0.2174 0.085 Uiso calc U . R 1 . .
H H37C -0.146 0.6343 0.3253 0.085 Uiso calc U . R 1 . .
C C18 0.8051(7) 0.9096(6) 0.1439(5) 0.0548(17) Uani d . . . 1 . .
H H18A 0.8664 0.8682 0.144 0.082 Uiso calc U . R 1 . .
H H18B 0.7175 0.8779 0.0692 0.082 Uiso calc U . R 1 . .
H H18C 0.8703 1.0016 0.1616 0.082 Uiso calc U . R 1 . .
H H3 0.170(6) 0.658(5) 0.536(4) 0.054(16) Uiso d . . . 1 . .
H H10 0.718(6) 1.071(5) 0.153(4) 0.067(18) Uiso d . . . 1 . .
H H13 0.649(5) 0.755(4) 0.324(3) 0.026(13) Uiso d . . . 1 . .
H H16A 0.020(6) 0.916(5) 0.370(4) 0.052(17) Uiso d . . . 1 . .
H H16B 0.157(6) 1.014(5) 0.489(5) 0.063(19) Uiso d . . . 1 . .
H H36A -0.044(6) 0.837(5) -0.008(4) 0.049(17) Uiso d . . . 1 . .
H H33 0.267(5) 0.372(4) 0.194(4) 0.034(14) Uiso d . . . 1 . .
H H30 -0.069(6) 0.299(5) 0.351(4) 0.055(17) Uiso d . . . 1 . .
H H23 0.360(6) 0.820(5) -0.034(4) 0.053(16) Uiso d . . . 1 . .
H H21 0.427(6) 0.458(5) 0.062(4) 0.065(18) Uiso d . . . 1 . .
H H36B 0.078(7) 0.941(6) 0.105(5) 0.07(2) Uiso d . . . 1 . .
H H1 0.549(8) 0.577(6) 0.442(5) 0.11(3) Uiso d . . . 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'
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'
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
C5 O3 C16 . . 106.8(4) ?
C31 O25 C38 . . 116.3(4) ?
C25 O23 C36 . . 106.4(4) ?
C4 O2 C16 . . 105.9(4) ?
C24 O22 C36 . . 105.3(4) ?
C8 O4 C17 . . 118.4(4) ?
C11 O5 C18 . . 116.7(4) ?
C28 O24 C37 . . 118.9(4) ?
C1 N1 C14 . . 110.2(4) ?
C1 N1 H1 . . 128.(4) ?
C14 N1 H1 . . 122.(4) ?
C21 N21 C34 . . 110.8(4) ?
C21 N21 H21 . . 125.(3) ?
C34 N21 H21 . . 123.(3) ?
C15 C6 C5 . . 109.6(4) ?
C15 C6 C7 . . 115.4(4) ?
C5 C6 C7 . . 134.9(4) ?
C2 C15 C14 . . 108.2(4) ?
C2 C15 C6 . . 127.2(5) ?
C14 C15 C6 . . 124.6(4) ?
C22 C35 C26 . . 127.6(4) ?
C22 C35 C34 . . 108.4(4) ?
C26 C35 C34 . . 124.0(4) ?
C35 C26 C25 . . 109.3(4) ?
C35 C26 C27 . . 116.5(4) ?
C25 C26 C27 . . 134.2(4) ?
C33 C34 N21 . . 132.6(4) ?
C33 C34 C35 . . 120.1(4) ?
N21 C34 C35 . . 107.2(4) ?
O4 C8 C9 . . 121.7(4) ?
O4 C8 C7 . . 116.2(4) ?
C9 C8 C7 . . 122.1(4) ?
C8 C7 C12 . . 116.3(4) ?
C8 C7 C6 . . 125.5(4) ?
C12 C7 C6 . . 118.2(4) ?
C23 C24 O22 . . 123.3(4) ?
C23 C24 C25 . . 126.3(5) ?
O22 C24 C25 . . 110.4(4) ?
C13 C14 N1 . . 131.9(5) ?
C13 C14 C15 . . 120.5(5) ?
N1 C14 C15 . . 107.5(4) ?
O23 C25 C24 . . 108.8(4) ?
O23 C25 C26 . . 128.7(4) ?
C24 C25 C26 . . 122.4(4) ?
C23 C22 C35 . . 121.4(5) ?
C23 C22 C21 . . 131.3(5) ?
C35 C22 C21 . . 107.3(4) ?
C28 C27 C32 . . 116.4(4) ?
C28 C27 C26 . . 125.8(4) ?
C32 C27 C26 . . 117.8(4) ?
O3 C5 C4 . . 108.5(4) ?
O3 C5 C6 . . 129.1(4) ?
C4 C5 C6 . . 122.4(4) ?
C34 C33 C32 . . 118.8(5) ?
C34 C33 H33 . . 122.(3) ?
C32 C33 H33 . . 119.(3) ?
O21 C21 N21 . . 125.1(5) ?
O21 C21 C22 . . 128.7(4) ?
N21 C21 C22 . . 106.2(4) ?
C3 C2 C15 . . 120.7(4) ?
C3 C2 C1 . . 132.4(5) ?
C15 C2 C1 . . 106.9(4) ?
C11 C12 C7 . . 119.7(4) ?
C11 C12 C13 . . 117.4(4) ?
C7 C12 C13 . . 122.8(4) ?
C31 C32 C27 . . 119.8(4) ?
C31 C32 C33 . . 117.4(4) ?
C27 C32 C33 . . 122.8(4) ?
O2 C4 C3 . . 123.6(4) ?
O2 C4 C5 . . 110.2(4) ?
C3 C4 C5 . . 126.2(5) ?
O1 C1 N1 . . 124.7(5) ?
O1 C1 C2 . . 128.2(5) ?
N1 C1 C2 . . 107.1(4) ?
C14 C13 C12 . . 118.4(5) ?
C14 C13 H13 . . 126.(3) ?
C12 C13 H13 . . 115.(3) ?
C22 C23 C24 . . 112.9(5) ?
C22 C23 H23 . . 119.(3) ?
C24 C23 H23 . . 127.(3) ?
O24 C28 C29 . . 119.5(4) ?
O24 C28 C27 . . 117.5(4) ?
C29 C28 C27 . . 123.0(4) ?
C30 C31 O25 . . 124.0(4) ?
C30 C31 C32 . . 121.1(5) ?
O25 C31 C32 . . 114.9(4) ?
C2 C3 C4 . . 113.9(5) ?
C2 C3 H3 . . 124.(3) ?
C4 C3 H3 . . 122.(3) ?
C28 C29 C30 . . 119.2(5) ?
C28 C29 H29 . . 120.4 ?
C30 C29 H29 . . 120.4 ?
C10 C11 O5 . . 123.6(4) ?
C10 C11 C12 . . 121.6(5) ?
O5 C11 C12 . . 114.8(4) ?
O2 C16 O3 . . 108.6(4) ?
O2 C16 H16A . . 111.(3) ?
O3 C16 H16A . . 106.(3) ?
O2 C16 H16B . . 107.(3) ?
O3 C16 H16B . . 107.(3) ?
H16A C16 H16B . . 116.(5) ?
C8 C9 C10 . . 121.3(5) ?
C8 C9 H9 . . 119.4 ?
C10 C9 H9 . . 119.4 ?
C31 C30 C29 . . 120.4(5) ?
C31 C30 H30 . . 120.(3) ?
C29 C30 H30 . . 119.(3) ?
O22 C36 O23 . . 108.9(4) ?
O22 C36 H36A . . 104.(3) ?
O23 C36 H36A . . 109.(3) ?
O22 C36 H36B . . 112.(4) ?
O23 C36 H36B . . 114.(4) ?
H36A C36 H36B . . 109.(5) ?
C11 C10 C9 . . 119.0(5) ?
C11 C10 H10 . . 121.(3) ?
C9 C10 H10 . . 120.(3) ?
O25 C38 H38A . . 109.5 ?
O25 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
O25 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
O4 C17 H17A . . 109.5 ?
O4 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O4 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
O24 C37 H37A . . 109.5 ?
O24 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
O24 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
O5 C18 H18A . . 109.5 ?
O5 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
O5 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
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
O3 C5 . 1.369(5) ?
O3 C16 . 1.419(6) ?
O25 C31 . 1.380(5) ?
O25 C38 . 1.420(5) ?
O23 C25 . 1.374(5) ?
O23 C36 . 1.418(6) ?
O2 C4 . 1.374(5) ?
O2 C16 . 1.410(6) ?
O1 C1 . 1.245(5) ?
O21 C21 . 1.239(6) ?
O22 C24 . 1.380(5) ?
O22 C36 . 1.413(6) ?
O4 C8 . 1.347(5) ?
O4 C17 . 1.453(6) ?
O5 C11 . 1.379(6) ?
O5 C18 . 1.427(6) ?
O24 C28 . 1.360(5) ?
O24 C37 . 1.443(6) ?
N1 C1 . 1.369(6) ?
N1 C14 . 1.406(6) ?
N1 H1 . 1.01(7) ?
N21 C21 . 1.376(6) ?
N21 C34 . 1.401(6) ?
N21 H21 . 0.99(5) ?
C6 C15 . 1.417(6) ?
C6 C5 . 1.425(6) ?
C6 C7 . 1.460(6) ?
C15 C2 . 1.406(6) ?
C15 C14 . 1.415(6) ?
C35 C22 . 1.392(6) ?
C35 C26 . 1.402(6) ?
C35 C34 . 1.431(6) ?
C26 C25 . 1.426(6) ?
C26 C27 . 1.453(6) ?
C34 C33 . 1.334(6) ?
C8 C9 . 1.361(7) ?
C8 C7 . 1.424(6) ?
C7 C12 . 1.429(6) ?
C24 C23 . 1.377(7) ?
C24 C25 . 1.380(6) ?
C14 C13 . 1.339(7) ?
C22 C23 . 1.370(6) ?
C22 C21 . 1.480(7) ?
C27 C28 . 1.414(6) ?
C27 C32 . 1.427(6) ?
C5 C4 . 1.388(6) ?
C33 C32 . 1.436(7) ?
C33 H33 . 0.92(4) ?
C2 C3 . 1.373(7) ?
C2 C1 . 1.462(6) ?
C12 C11 . 1.415(6) ?
C12 C13 . 1.439(6) ?
C32 C31 . 1.419(6) ?
C4 C3 . 1.375(7) ?
C13 H13 . 0.90(4) ?
C23 H23 . 1.01(5) ?
C28 C29 . 1.370(7) ?
C31 C30 . 1.352(7) ?
C3 H3 . 0.98(5) ?
C29 C30 . 1.408(7) ?
C29 H29 . 0.95 ?
C11 C10 . 1.366(6) ?
C16 H16A . 0.93(5) ?
C16 H16B . 0.97(6) ?
C9 C10 . 1.393(7) ?
C9 H9 . 0.95 ?
C30 H30 . 0.98(5) ?
C36 H36A . 0.95(5) ?
C36 H36B . 0.95(6) ?
C10 H10 . 1.02(5) ?
C38 H38A . 0.98 ?
C38 H38B . 0.98 ?
C38 H38C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C37 H37A . 0.98 ?
C37 H37B . 0.98 ?
C37 H37C . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
