#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:17:46 +0300 (Fri, 05 May 2023) $
#$Revision: 283453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/92/7159237.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_7159237
loop_
_publ_author_name
'Gugulothu, Kishan'
'Jatoth, Ramanna'
'Edukondalu, Peramalla'
'Vanga, Anusha'
'Matta, Raghavender'
'Shiva Kumar, K.'
_publ_section_title
;
 Synthesis of fused bis-indazoles/indazoles via a one-pot
 sequential strategy.
;
_journal_issue                   13
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              2816
_journal_page_last               2821
_journal_paper_doi               10.1039/d3ob00121k
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C17 H14 N4'
_chemical_formula_sum            'C17 H14 N4'
_chemical_formula_weight         274.32
_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-2018/3
_audit_update_record
;
2022-10-28 deposited with the CCDC.	2023-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.27(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.887(3)
_cell_length_b                   10.805(1)
_cell_length_c                   15.510(1)
_cell_measurement_reflns_used    6812
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      0.988
_cell_measurement_theta_min      0.981
_cell_volume                     2753.8(6)
_computing_cell_refinement       'Bruker SHELXL'
_computing_data_collection       'Bruker SHELXL'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture photon 100 CMOS detector'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1016
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47963
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.308
_diffrn_reflns_theta_min         2.256
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (G. Sheldrick, 2013)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       plate
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.159
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0529
_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+0.2632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4245
_reflns_number_total             6812
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob00121k2.cif
_cod_data_source_block           DATAM_a
_cod_depositor_comments
'Adding full bibliography for 7159236--7159238.cif.'
_cod_original_cell_volume        2753.8(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7159237
_shelx_shelxl_version_number     2018/3
_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.
;
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
N3 N 0.35987(8) 0.49833(13) 0.42512(10) 0.0477(4) Uani 1 1 d . . . . .
N2 N 0.26282(9) 0.31296(13) 0.28510(11) 0.0483(4) Uani 1 1 d . . . . .
N4 N 0.40166(9) 0.60313(14) 0.45940(11) 0.0522(4) Uani 1 1 d . . . . .
N5 N 0.13637(9) 0.91439(13) 0.55016(10) 0.0474(4) Uani 1 1 d . . . . .
N6 N 0.07966(9) 0.82792(14) 0.54242(11) 0.0542(4) Uani 1 1 d . . . . .
N1 N 0.20663(10) 0.22540(13) 0.24062(11) 0.0530(4) Uani 1 1 d . . . . .
N7 N 0.26590(10) 1.05185(14) 0.51989(11) 0.0557(4) Uani 1 1 d . . . . .
C8 C 0.28434(10) 0.51696(16) 0.35817(12) 0.0439(4) Uani 1 1 d . . . . .
N8 N 0.33423(12) 1.11811(15) 0.53779(14) 0.0646(5) Uani 1 1 d . . . . .
C7 C 0.23251(10) 0.41298(15) 0.31309(12) 0.0434(4) Uani 1 1 d . . . . .
C17 C 0.27530(10) 0.64480(16) 0.34563(12) 0.0426(4) Uani 1 1 d . . . . .
C30 C 0.35983(11) 0.94431(16) 0.63047(13) 0.0474(4) Uani 1 1 d . . . . .
C2 C 0.14945(10) 0.38972(15) 0.28590(12) 0.0442(4) Uani 1 1 d . . . . .
C16 C 0.21492(11) 0.72442(17) 0.28571(13) 0.0502(4) Uani 1 1 d . . . . .
H16 H 0.165571 0.693518 0.243247 0.060 Uiso 1 1 calc R U . . .
C23 C 0.20104(10) 0.73857(16) 0.55876(12) 0.0457(4) Uani 1 1 d . . . . .
C28 C 0.27732(11) 0.94777(16) 0.57195(12) 0.0460(4) Uani 1 1 d . . . . .
C12 C 0.35017(10) 0.69360(16) 0.41035(13) 0.0458(4) Uani 1 1 d . . . . .
C1 C 0.13692(11) 0.27297(16) 0.24063(12) 0.0461(4) Uani 1 1 d . . . . .
C24 C 0.20983(10) 0.86704(16) 0.56088(12) 0.0449(4) Uani 1 1 d . . . . .
C22 C 0.11905(11) 0.72016(16) 0.54757(12) 0.0486(4) Uani 1 1 d . . . . .
C3 C 0.08403(11) 0.45388(18) 0.29412(14) 0.0559(5) Uani 1 1 d . . . . .
H3 H 0.091975 0.529251 0.325441 0.067 Uiso 1 1 calc R U . . .
C11 C 0.39340(12) 0.37765(18) 0.46242(14) 0.0566(5) Uani 1 1 d . . . . .
H11A H 0.355966 0.335992 0.484039 0.068 Uiso 1 1 calc R U . . .
H11B H 0.444150 0.389709 0.516372 0.068 Uiso 1 1 calc R U . . .
C14 C 0.30480(14) 0.89642(18) 0.35684(16) 0.0619(5) Uani 1 1 d . . . . .
H14 H 0.313328 0.981464 0.358837 0.074 Uiso 1 1 calc R U . . .
C31 C 0.41018(12) 0.86679(19) 0.70294(15) 0.0577(5) Uani 1 1 d . . . . .
H31 H 0.389308 0.797080 0.720775 0.069 Uiso 1 1 calc R U . . .
C18 C 0.25202(13) 0.63658(17) 0.56529(14) 0.0554(5) Uani 1 1 d . . . . .
H18 H 0.305530 0.647589 0.571722 0.067 Uiso 1 1 calc R U . . .
C15 C 0.23079(13) 0.84804(18) 0.29165(15) 0.0593(5) Uani 1 1 d . . . . .
H15 H 0.191911 0.901913 0.251790 0.071 Uiso 1 1 calc R U . . .
C29 C 0.39213(13) 1.05193(17) 0.60556(15) 0.0555(5) Uani 1 1 d . . . . .
C13 C 0.36418(12) 0.82226(17) 0.41696(15) 0.0561(5) Uani 1 1 d . . . . .
H13 H 0.412167 0.855335 0.460730 0.067 Uiso 1 1 calc R U . . .
C25 C 0.11983(12) 1.04523(17) 0.55443(14) 0.0565(5) Uani 1 1 d . . . . .
H25A H 0.159730 1.079158 0.612184 0.068 Uiso 1 1 calc R U . . .
H25B H 0.066656 1.054402 0.556599 0.068 Uiso 1 1 calc R U . . .
C6 C 0.05794(12) 0.22192(18) 0.20020(14) 0.0579(5) Uani 1 1 d . . . . .
H6 H 0.048832 0.145643 0.169994 0.070 Uiso 1 1 calc R U . . .
C9 C 0.34627(12) 0.3022(2) 0.29258(15) 0.0613(5) Uani 1 1 d . . . . .
H9A H 0.358593 0.373067 0.262116 0.074 Uiso 1 1 calc R U . . .
H9B H 0.350686 0.228646 0.259016 0.074 Uiso 1 1 calc R U . . .
C21 C 0.08850(13) 0.59921(19) 0.54472(15) 0.0634(5) Uani 1 1 d . . . . .
H21 H 0.035109 0.586064 0.538053 0.076 Uiso 1 1 calc R U . . .
C19 C 0.22004(15) 0.52061(18) 0.56184(16) 0.0661(6) Uani 1 1 d . . . . .
H19 H 0.252559 0.451812 0.566123 0.079 Uiso 1 1 calc R U . . .
C10 C 0.40915(12) 0.2947(2) 0.39277(17) 0.0642(6) Uani 1 1 d . . . . .
H10A H 0.411957 0.209784 0.414067 0.077 Uiso 1 1 calc R U . . .
H10B H 0.461927 0.315631 0.392882 0.077 Uiso 1 1 calc R U . . .
C5 C -0.00409(13) 0.2874(2) 0.20675(17) 0.0676(6) Uani 1 1 d . . . . .
H5 H -0.056709 0.256188 0.178917 0.081 Uiso 1 1 calc R U . . .
C20 C 0.13873(15) 0.50316(19) 0.55191(17) 0.0693(6) Uani 1 1 d . . . . .
H20 H 0.119291 0.422998 0.550294 0.083 Uiso 1 1 calc R U . . .
C4 C 0.00870(12) 0.4017(2) 0.25461(17) 0.0669(6) Uani 1 1 d . . . . .
H4 H -0.035383 0.442331 0.259263 0.080 Uiso 1 1 calc R U . . .
C26 C 0.12169(15) 1.1193(2) 0.47298(17) 0.0716(6) Uani 1 1 d . . . . .
H26A H 0.070256 1.108108 0.419856 0.086 Uiso 1 1 calc R U . . .
H26B H 0.126390 1.206296 0.489757 0.086 Uiso 1 1 calc R U . . .
C34 C 0.47554(15) 1.0794(2) 0.6512(2) 0.0727(6) Uani 1 1 d . . . . .
H34 H 0.497645 1.149037 0.634926 0.087 Uiso 1 1 calc R U . . .
C27 C 0.18946(14) 1.0862(2) 0.44308(16) 0.0721(6) Uani 1 1 d . . . . .
H27A H 0.171757 1.017771 0.399175 0.087 Uiso 1 1 calc R U . . .
H27B H 0.199565 1.156283 0.410070 0.087 Uiso 1 1 calc R U . . .
C33 C 0.52262(15) 1.0016(3) 0.7193(2) 0.0824(7) Uani 1 1 d . . . . .
H33 H 0.578020 1.017880 0.749208 0.099 Uiso 1 1 calc R U . . .
C32 C 0.49035(14) 0.8968(2) 0.74622(18) 0.0742(6) Uani 1 1 d . . . . .
H32 H 0.524554 0.846955 0.794639 0.089 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'
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
N4 N3 C8 114.08(14) . . ?
N4 N3 C11 121.29(14) . . ?
C8 N3 C11 124.54(14) . . ?
N1 N2 C7 114.21(14) . . ?
N1 N2 C9 121.07(15) . . ?
C7 N2 C9 124.46(15) . . ?
N3 N4 C12 103.74(13) . . ?
N6 N5 C24 114.03(14) . . ?
N6 N5 C25 121.27(15) . . ?
C24 N5 C25 124.50(15) . . ?
C22 N6 N5 103.66(15) . . ?
C1 N1 N2 103.52(14) . . ?
N8 N7 C28 114.10(16) . . ?
N8 N7 C27 120.85(17) . . ?
C28 N7 C27 124.72(17) . . ?
N3 C8 C17 106.23(14) . . ?
N3 C8 C7 120.59(15) . . ?
C17 C8 C7 133.13(15) . . ?
N7 N8 C29 103.48(15) . . ?
N2 C7 C2 105.79(14) . . ?
N2 C7 C8 120.82(15) . . ?
C2 C7 C8 133.35(16) . . ?
C8 C17 C16 135.58(16) . . ?
C8 C17 C12 104.13(14) . . ?
C16 C17 C12 120.23(16) . . ?
C28 C30 C31 135.67(17) . . ?
C28 C30 C29 103.94(16) . . ?
C31 C30 C29 120.34(18) . . ?
C7 C2 C3 134.94(16) . . ?
C7 C2 C1 104.51(15) . . ?
C3 C2 C1 120.55(16) . . ?
C15 C16 C17 118.06(18) . . ?
C15 C16 H16 121.0 . . ?
C17 C16 H16 121.0 . . ?
C24 C23 C18 135.47(17) . . ?
C24 C23 C22 104.08(15) . . ?
C18 C23 C22 120.46(16) . . ?
N7 C28 C30 106.39(15) . . ?
N7 C28 C24 120.65(16) . . ?
C30 C28 C24 132.95(16) . . ?
N4 C12 C13 127.60(17) . . ?
N4 C12 C17 111.82(15) . . ?
C13 C12 C17 120.58(17) . . ?
N1 C1 C6 127.87(17) . . ?
N1 C1 C2 111.96(15) . . ?
C6 C1 C2 120.15(17) . . ?
N5 C24 C23 106.10(15) . . ?
N5 C24 C28 120.68(16) . . ?
C23 C24 C28 133.22(17) . . ?
N6 C22 C21 127.73(18) . . ?
N6 C22 C23 112.13(15) . . ?
C21 C22 C23 120.13(18) . . ?
C4 C3 C2 117.70(18) . . ?
C4 C3 H3 121.1 . . ?
C2 C3 H3 121.1 . . ?
N3 C11 C10 114.23(17) . . ?
N3 C11 H11A 108.7 . . ?
C10 C11 H11A 108.7 . . ?
N3 C11 H11B 108.7 . . ?
C10 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C13 C14 C15 121.97(18) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C32 C31 C30 118.0(2) . . ?
C32 C31 H31 121.0 . . ?
C30 C31 H31 121.0 . . ?
C19 C18 C23 117.68(19) . . ?
C19 C18 H18 121.2 . . ?
C23 C18 H18 121.2 . . ?
C16 C15 C14 121.58(19) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
N8 C29 C34 127.85(19) . . ?
N8 C29 C30 112.08(17) . . ?
C34 C29 C30 120.1(2) . . ?
C14 C13 C12 117.53(18) . . ?
C14 C13 H13 121.2 . . ?
C12 C13 H13 121.2 . . ?
N5 C25 C26 114.00(17) . . ?
N5 C25 H25A 108.8 . . ?
C26 C25 H25A 108.8 . . ?
N5 C25 H25B 108.8 . . ?
C26 C25 H25B 108.8 . . ?
H25A C25 H25B 107.6 . . ?
C5 C6 C1 117.94(18) . . ?
C5 C6 H6 121.0 . . ?
C1 C6 H6 121.0 . . ?
N2 C9 C10 114.05(18) . . ?
N2 C9 H9A 108.7 . . ?
C10 C9 H9A 108.7 . . ?
N2 C9 H9B 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C20 C21 C22 118.3(2) . . ?
C20 C21 H21 120.9 . . ?
C22 C21 H21 120.9 . . ?
C18 C19 C20 121.5(2) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C11 C10 C9 115.32(16) . . ?
C11 C10 H10A 108.4 . . ?
C9 C10 H10A 108.4 . . ?
C11 C10 H10B 108.4 . . ?
C9 C10 H10B 108.4 . . ?
H10A C10 H10B 107.5 . . ?
C6 C5 C4 121.96(19) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C21 C20 C19 121.99(19) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C3 C4 C5 121.6(2) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C27 C26 C25 114.85(17) . . ?
C27 C26 H26A 108.6 . . ?
C25 C26 H26A 108.6 . . ?
C27 C26 H26B 108.6 . . ?
C25 C26 H26B 108.6 . . ?
H26A C26 H26B 107.5 . . ?
C33 C34 C29 118.1(2) . . ?
C33 C34 H34 120.9 . . ?
C29 C34 H34 120.9 . . ?
N7 C27 C26 114.69(19) . . ?
N7 C27 H27A 108.6 . . ?
C26 C27 H27A 108.6 . . ?
N7 C27 H27B 108.6 . . ?
C26 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C34 C33 C32 122.0(2) . . ?
C34 C33 H33 119.0 . . ?
C32 C33 H33 119.0 . . ?
C31 C32 C33 121.4(2) . . ?
C31 C32 H32 119.3 . . ?
C33 C32 H32 119.3 . . ?
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
N3 N4 1.345(2) . ?
N3 C8 1.355(2) . ?
N3 C11 1.456(2) . ?
N2 N1 1.354(2) . ?
N2 C7 1.355(2) . ?
N2 C9 1.455(2) . ?
N4 C12 1.352(2) . ?
N5 N6 1.349(2) . ?
N5 C24 1.358(2) . ?
N5 C25 1.451(2) . ?
N6 C22 1.347(2) . ?
N1 C1 1.349(2) . ?
N7 N8 1.347(2) . ?
N7 C28 1.352(2) . ?
N7 C27 1.463(3) . ?
C8 C17 1.395(2) . ?
C8 C7 1.449(2) . ?
N8 C29 1.352(3) . ?
C7 C2 1.398(2) . ?
C17 C16 1.406(2) . ?
C17 C12 1.420(2) . ?
C30 C28 1.395(3) . ?
C30 C31 1.406(3) . ?
C30 C29 1.418(3) . ?
C2 C3 1.409(3) . ?
C2 C1 1.418(2) . ?
C16 C15 1.361(3) . ?
C16 H16 0.9300 . ?
C23 C24 1.396(2) . ?
C23 C18 1.408(2) . ?
C23 C22 1.421(2) . ?
C28 C24 1.444(2) . ?
C12 C13 1.409(2) . ?
C1 C6 1.412(2) . ?
C22 C21 1.411(3) . ?
C3 C4 1.363(3) . ?
C3 H3 0.9300 . ?
C11 C10 1.513(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C14 C13 1.363(3) . ?
C14 C15 1.411(3) . ?
C14 H14 0.9300 . ?
C31 C32 1.361(3) . ?
C31 H31 0.9300 . ?
C18 C19 1.370(3) . ?
C18 H18 0.9300 . ?
C15 H15 0.9300 . ?
C29 C34 1.407(3) . ?
C13 H13 0.9300 . ?
C25 C26 1.507(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C6 C5 1.353(3) . ?
C6 H6 0.9300 . ?
C9 C10 1.518(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C21 C20 1.348(3) . ?
C21 H21 0.9300 . ?
C19 C20 1.413(3) . ?
C19 H19 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C5 C4 1.412(3) . ?
C5 H5 0.9300 . ?
C20 H20 0.9300 . ?
C4 H4 0.9300 . ?
C26 C27 1.502(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C34 C33 1.352(4) . ?
C34 H34 0.9300 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C33 C32 1.408(4) . ?
C33 H33 0.9300 . ?
C32 H32 0.9300 . ?
