#------------------------------------------------------------------------------
#$Date: 2022-07-06 11:34:33 +0300 (Wed, 06 Jul 2022) $
#$Revision: 276672 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/87/7158719.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_7158719
loop_
_publ_author_name
'Liu, Dan'
'Liu, Xueyan'
'Sun, Jing'
'Han, Ying'
'Yan, Chao-Guo'
_publ_section_title
;
 Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of
 diverse spiro and fused indeno[1,2-a]fluorene-7,12-diones.
;
_journal_issue                   24
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              4964
_journal_page_last               4969
_journal_paper_doi               10.1039/d2ob00815g
_journal_volume                  20
_journal_year                    2022
_chemical_formula_moiety         'C38 H28 N2 O3'
_chemical_formula_sum            'C38 H28 N2 O3'
_chemical_formula_weight         560.62
_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
;
2022-02-23 deposited with the CCDC.	2022-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.881(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7066(6)
_cell_length_b                   12.5713(7)
_cell_length_c                   23.8206(14)
_cell_measurement_reflns_used    9895
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.38
_cell_volume                     2854.4(3)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0436
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            27056
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         2.137
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.177
_refine_diff_density_min         -0.156
_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         5589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0469
_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)+(0.0515P)²+0.6263P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1197
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3822
_reflns_number_total             5589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ob00815g2.cif
_cod_data_source_block           5b
_cod_depositor_comments
'Adding full bibliography for 7158713--7158721.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7158719
_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   0.980
_shelx_estimated_absorpt_t_max   0.984
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
C1 C 0.17446(18) 0.42011(13) 0.32109(9) 0.0471(4) Uani 1 1 d . . . . .
C2 C 0.17819(17) 0.33138(13) 0.28142(8) 0.0460(4) Uani 1 1 d . . . . .
C3 C 0.1830(2) 0.22326(14) 0.29392(10) 0.0589(5) Uani 1 1 d . . . . .
H3 H 0.1855 0.1994 0.3311 0.071 Uiso 1 1 calc R U . . .
C4 C 0.1839(2) 0.15271(15) 0.25010(11) 0.0655(6) Uani 1 1 d . . . . .
H4 H 0.1862 0.0800 0.2575 0.079 Uiso 1 1 calc R U . . .
C5 C 0.1813(2) 0.18846(15) 0.19541(11) 0.0640(6) Uani 1 1 d . . . . .
H5 H 0.1847 0.1393 0.1665 0.077 Uiso 1 1 calc R U . . .
C6 C 0.17385(19) 0.29607(14) 0.18210(9) 0.0542(5) Uani 1 1 d . . . . .
H6 H 0.1700 0.3192 0.1448 0.065 Uiso 1 1 calc R U . . .
C7 C 0.17229(17) 0.36790(13) 0.22595(8) 0.0433(4) Uani 1 1 d . . . . .
C8 C 0.15393(17) 0.48819(12) 0.22419(7) 0.0411(4) Uani 1 1 d . . . . .
H8 H 0.0567 0.5026 0.2057 0.049 Uiso 1 1 calc R U . . .
C9 C 0.16721(17) 0.51771(12) 0.28628(8) 0.0412(4) Uani 1 1 d . . . . .
C10 C 0.17972(16) 0.62163(12) 0.30102(7) 0.0411(4) Uani 1 1 d . . . . .
C11 C 0.17658(17) 0.67959(13) 0.35418(7) 0.0440(4) Uani 1 1 d . . . . .
C12 C 0.1599(2) 0.64504(16) 0.40778(8) 0.0579(5) Uani 1 1 d . . . . .
H12 H 0.1556 0.5728 0.4157 0.070 Uiso 1 1 calc R U . . .
C13 C 0.1497(2) 0.72022(18) 0.44911(9) 0.0686(6) Uani 1 1 d . . . . .
H13 H 0.1375 0.6978 0.4851 0.082 Uiso 1 1 calc R U . . .
C14 C 0.1572(2) 0.82792(19) 0.43837(10) 0.0690(6) Uani 1 1 d . . . . .
H14 H 0.1507 0.8767 0.4671 0.083 Uiso 1 1 calc R U . . .
C15 C 0.1741(2) 0.86354(16) 0.38553(9) 0.0593(5) Uani 1 1 d . . . . .
H15 H 0.1791 0.9359 0.3781 0.071 Uiso 1 1 calc R U . . .
C16 C 0.18340(17) 0.78882(13) 0.34367(8) 0.0467(4) Uani 1 1 d . . . . .
C17 C 0.19261(18) 0.80826(13) 0.28370(8) 0.0483(5) Uani 1 1 d . . . . .
C18 C 0.19702(17) 0.70006(12) 0.25693(8) 0.0419(4) Uani 1 1 d . . . . .
C19 C 0.4550(2) 0.39994(17) 0.05051(9) 0.0620(5) Uani 1 1 d . . . . .
H19 H 0.5355 0.4110 0.0780 0.074 Uiso 1 1 calc R U . . .
C20 C 0.4636(2) 0.34998(19) -0.00037(10) 0.0741(6) Uani 1 1 d . . . . .
H20 H 0.5503 0.3273 -0.0070 0.089 Uiso 1 1 calc R U . . .
C21 C 0.3467(3) 0.33353(19) -0.04086(9) 0.0738(6) Uani 1 1 d . . . . .
H21 H 0.3539 0.3006 -0.0751 0.089 Uiso 1 1 calc R U . . .
C22 C 0.2193(3) 0.36531(18) -0.03116(9) 0.0727(6) Uani 1 1 d . . . . .
H22 H 0.1394 0.3529 -0.0587 0.087 Uiso 1 1 calc R U . . .
C23 C 0.2075(2) 0.41561(16) 0.01893(8) 0.0598(5) Uani 1 1 d . . . . .
H23 H 0.1201 0.4377 0.0250 0.072 Uiso 1 1 calc R U . . .
C24 C 0.32605(19) 0.43326(13) 0.06025(7) 0.0460(4) Uani 1 1 d . . . . .
C25 C 0.49668(19) 0.51924(16) 0.25893(8) 0.0565(5) Uani 1 1 d . . . . .
H25A H 0.4581 0.4784 0.2863 0.085 Uiso 1 1 calc R U . . .
H25B H 0.5101 0.5914 0.2719 0.085 Uiso 1 1 calc R U . . .
H25C H 0.5852 0.4894 0.2547 0.085 Uiso 1 1 calc R U . . .
C26 C 0.39901(17) 0.51694(13) 0.20321(8) 0.0418(4) Uani 1 1 d . . . . .
C27 C 0.24945(17) 0.55579(12) 0.19260(7) 0.0400(4) Uani 1 1 d . . . . .
C28 C 0.20494(18) 0.53306(13) 0.12873(8) 0.0446(4) Uani 1 1 d . . . . .
C29 C 0.23324(17) 0.67430(12) 0.20674(8) 0.0417(4) Uani 1 1 d . . . . .
C30 C 0.26021(18) 0.75481(13) 0.16480(7) 0.0441(4) Uani 1 1 d . . . . .
C31 C 0.1560(2) 0.82568(15) 0.14194(8) 0.0559(5) Uani 1 1 d . . . . .
H31 H 0.0679 0.8195 0.1516 0.067 Uiso 1 1 calc R U . . .
C32 C 0.1797(2) 0.90550(15) 0.10515(8) 0.0563(5) Uani 1 1 d . . . . .
H32 H 0.1074 0.9523 0.0908 0.068 Uiso 1 1 calc R U . . .
C33 C 0.3080(2) 0.91748(14) 0.08910(8) 0.0501(5) Uani 1 1 d . . . . .
C34 C 0.3393(2) 1.00603(16) 0.04994(9) 0.0649(6) Uani 1 1 d . . . . .
H34 H 0.3750 0.9723 0.0185 0.078 Uiso 1 1 calc R U . . .
C35 C 0.2119(3) 1.07158(19) 0.02329(10) 0.0869(8) Uani 1 1 d . . . . .
H35A H 0.1391 1.0251 0.0045 0.130 Uiso 1 1 calc R U . . .
H35B H 0.2376 1.1202 -0.0041 0.130 Uiso 1 1 calc R U . . .
H35C H 0.1786 1.1108 0.0526 0.130 Uiso 1 1 calc R U . . .
C36 C 0.4545(3) 1.0782(2) 0.08060(11) 0.0950(8) Uani 1 1 d . . . . .
H36A H 0.4231 1.1132 0.1117 0.143 Uiso 1 1 calc R U . . .
H36B H 0.4768 1.1306 0.0544 0.143 Uiso 1 1 calc R U . . .
H36C H 0.5364 1.0367 0.0951 0.143 Uiso 1 1 calc R U . . .
C37 C 0.4111(2) 0.84372(15) 0.11069(9) 0.0581(5) Uani 1 1 d . . . . .
H37 H 0.4982 0.8486 0.1000 0.070 Uiso 1 1 calc R U . . .
C38 C 0.3885(2) 0.76364(14) 0.14741(9) 0.0551(5) Uani 1 1 d . . . . .
H38 H 0.4596 0.7152 0.1606 0.066 Uiso 1 1 calc R U . . .
N1 N 0.31738(14) 0.48422(11) 0.11282(6) 0.0454(4) Uani 1 1 d . . . . .
N2 N 0.43384(14) 0.47595(11) 0.15853(6) 0.0477(4) Uani 1 1 d . . . . .
O1 O 0.18098(16) 0.41244(10) 0.37271(6) 0.0679(4) Uani 1 1 d . . . . .
O2 O 0.19356(16) 0.89475(10) 0.26109(6) 0.0702(4) Uani 1 1 d . . . . .
O3 O 0.09131(14) 0.55108(11) 0.09913(6) 0.0607(4) Uani 1 1 d . . . . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 125.79(16) . . ?
O1 C1 C9 128.21(16) . . ?
C2 C1 C9 105.95(15) . . ?
C7 C2 C3 121.36(17) . . ?
C7 C2 C1 111.08(14) . . ?
C3 C2 C1 127.54(18) . . ?
C4 C3 C2 118.30(19) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 H3 120.9 . . ?
C3 C4 C5 120.58(18) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 121.75(19) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C7 C6 C5 118.12(19) . . ?
C7 C6 H6 120.9 . . ?
C5 C6 H6 120.9 . . ?
C6 C7 C2 119.87(16) . . ?
C6 C7 C8 130.22(17) . . ?
C2 C7 C8 109.75(15) . . ?
C9 C8 C7 103.28(14) . . ?
C9 C8 C27 113.12(13) . . ?
C7 C8 C27 118.65(14) . . ?
C9 C8 H8 107.1 . . ?
C7 C8 H8 107.1 . . ?
C27 C8 H8 107.1 . . ?
C10 C9 C1 131.71(17) . . ?
C10 C9 C8 118.66(15) . . ?
C1 C9 C8 109.45(14) . . ?
C9 C10 C11 133.53(16) . . ?
C9 C10 C18 118.58(16) . . ?
C11 C10 C18 107.87(14) . . ?
C12 C11 C16 119.31(16) . . ?
C12 C11 C10 131.65(16) . . ?
C16 C11 C10 108.88(15) . . ?
C13 C12 C11 118.57(19) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C14 121.6(2) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C15 C14 C13 120.54(19) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 118.26(19) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C15 C16 C11 121.66(18) . . ?
C15 C16 C17 127.70(17) . . ?
C11 C16 C17 110.54(15) . . ?
O2 C17 C16 125.99(16) . . ?
O2 C17 C18 128.13(18) . . ?
C16 C17 C18 105.87(14) . . ?
C29 C18 C10 123.75(14) . . ?
C29 C18 C17 128.72(15) . . ?
C10 C18 C17 106.64(15) . . ?
C24 C19 C20 119.47(19) . . ?
C24 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C21 C20 C19 120.8(2) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 119.9(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 120.7(2) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C24 119.81(19) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C19 C24 C23 119.37(18) . . ?
C19 C24 N1 119.38(16) . . ?
C23 C24 N1 121.25(16) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C26 C25 121.83(15) . . ?
N2 C26 C27 112.77(15) . . ?
C25 C26 C27 125.33(16) . . ?
C26 C27 C28 100.88(13) . . ?
C26 C27 C29 114.28(13) . . ?
C28 C27 C29 112.14(13) . . ?
C26 C27 C8 112.69(13) . . ?
C28 C27 C8 107.32(13) . . ?
C29 C27 C8 109.15(13) . . ?
O3 C28 N1 127.51(17) . . ?
O3 C28 C27 126.80(15) . . ?
N1 C28 C27 105.64(14) . . ?
C18 C29 C30 122.93(15) . . ?
C18 C29 C27 118.71(14) . . ?
C30 C29 C27 118.36(14) . . ?
C31 C30 C38 117.52(16) . . ?
C31 C30 C29 119.87(15) . . ?
C38 C30 C29 122.60(15) . . ?
C32 C31 C30 121.51(17) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C33 C32 C31 121.53(18) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C37 116.72(16) . . ?
C32 C33 C34 123.08(17) . . ?
C37 C33 C34 120.19(17) . . ?
C36 C34 C33 110.94(17) . . ?
C36 C34 C35 110.12(19) . . ?
C33 C34 C35 114.36(18) . . ?
C36 C34 H34 107.0 . . ?
C33 C34 H34 107.0 . . ?
C35 C34 H34 107.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C33 122.19(17) . . ?
C38 C37 H37 118.9 . . ?
C33 C37 H37 118.9 . . ?
C37 C38 C30 120.44(17) . . ?
C37 C38 H38 119.8 . . ?
C30 C38 H38 119.8 . . ?
C28 N1 N2 112.50(14) . . ?
C28 N1 C24 128.99(15) . . ?
N2 N1 C24 118.15(13) . . ?
C26 N2 N1 108.10(13) . . ?
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
C1 O1 1.223(2) . ?
C1 C2 1.467(2) . ?
C1 C9 1.475(2) . ?
C2 C7 1.390(2) . ?
C2 C3 1.390(2) . ?
C3 C4 1.371(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.383(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.522(2) . ?
C8 C9 1.507(2) . ?
C8 C27 1.553(2) . ?
C8 H8 0.9800 . ?
C9 C10 1.352(2) . ?
C10 C11 1.466(2) . ?
C10 C18 1.473(2) . ?
C11 C12 1.387(2) . ?
C11 C16 1.400(2) . ?
C12 C13 1.382(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.382(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.375(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.385(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.468(3) . ?
C17 O2 1.214(2) . ?
C17 C18 1.506(2) . ?
C18 C29 1.348(2) . ?
C19 C24 1.381(2) . ?
C19 C20 1.381(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.359(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.360(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.383(3) . ?
C23 H23 0.9300 . ?
C24 N1 1.423(2) . ?
C25 C26 1.478(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 N2 1.284(2) . ?
C26 C27 1.507(2) . ?
C27 C28 1.528(2) . ?
C27 C29 1.542(2) . ?
C28 O3 1.213(2) . ?
C28 N1 1.367(2) . ?
C29 C30 1.480(2) . ?
C30 C31 1.380(2) . ?
C30 C38 1.389(2) . ?
C31 C32 1.380(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.379(3) . ?
C32 H32 0.9300 . ?
C33 C37 1.390(3) . ?
C33 C34 1.519(3) . ?
C34 C36 1.516(3) . ?
C34 C35 1.521(3) . ?
C34 H34 0.9800 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.378(2) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
N1 N2 1.4176(19) . ?
