#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:19:44 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267030 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/82/7128294.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_7128294
loop_
_publ_author_name
'Kundu, Samrat'
'Banerjee, Ankush'
'Pal, Shyam Chand'
'Ghosh, Meghna'
'Maji, Modhu Sudan'
_publ_section_title
;
 Cascade annulative π-extension for the rapid construction of carbazole
 based polyaromatic hydrocarbons.
;
_journal_issue                   47
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5762
_journal_page_last               5765
_journal_paper_doi               10.1039/d1cc00668a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C34 H25 N O'
_chemical_formula_weight         463.55
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc27rp4v
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-30 deposited with the CCDC.	2021-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   29.4033(13)
_cell_length_b                   34.6034(15)
_cell_length_c                   9.5921(5)
_cell_measurement_reflns_used    2966
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.31
_cell_volume                     9759.5(8)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.1659
_diffrn_reflns_av_unetI/netI     0.0848
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            40565
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.769
_diffrn_reflns_theta_min         2.310
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6385
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_description       needle
_exptl_crystal_F_000             3904
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.051
_refine_ls_abs_structure_details
;
 Flack x determined using 813 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.225(99)
_refine_ls_extinction_coef       0.00037(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5196
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1599
_refine_ls_R_factor_gt           0.0686
_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)+(0.1102P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1718
_refine_ls_wR_factor_ref         0.2219
_reflns_Friedel_coverage         0.883
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                2408
_reflns_number_total             5196
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc00668a2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7128291--7128294.cif.'
_cod_database_code               7128294
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
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
O1 O 0.5035(2) 0.40516(15) 0.4846(7) 0.0962(17) Uani 1 1 d . . . . .
C34 C 0.49914(18) 0.28533(15) 0.4947(7) 0.0486(14) Uani 1 1 d . . . . .
N1 N 0.38805(17) 0.18623(16) 0.5313(6) 0.0645(15) Uani 1 1 d . . . . .
C1 C 0.5025(4) 0.4284(3) 0.6132(13) 0.129(4) Uani 1 1 d . . . . .
H1A H 0.4748 0.4233 0.6629 0.194 Uiso 1 1 calc R U . . .
H1B H 0.5041 0.4553 0.5898 0.194 Uiso 1 1 calc R U . . .
H1C H 0.5280 0.4216 0.6707 0.194 Uiso 1 1 calc R U . . .
C2 C 0.5035(2) 0.36570(16) 0.4955(8) 0.0588(16) Uani 1 1 d . . . . .
C3 C 0.5008(2) 0.34632(18) 0.3721(8) 0.0620(18) Uani 1 1 d . . . . .
H3 H 0.5004 0.3599 0.2884 0.074 Uiso 1 1 calc R U . . .
C4 C 0.4986(2) 0.30652(19) 0.3719(7) 0.0585(17) Uani 1 1 d . . . . .
H4 H 0.4968 0.2935 0.2873 0.070 Uiso 1 1 calc R U . . .
C5 C 0.49118(18) 0.24252(16) 0.4931(7) 0.0479(14) Uani 1 1 d . . . . .
C6 C 0.52591(19) 0.21510(16) 0.4870(7) 0.0490(15) Uani 1 1 d . . . . .
C7 C 0.51515(19) 0.17469(16) 0.4837(7) 0.0514(15) Uani 1 1 d . . . . .
C8 C 0.5498(2) 0.14506(18) 0.4571(7) 0.0595(18) Uani 1 1 d . . . . .
C9 C 0.5920(2) 0.1530(2) 0.3949(10) 0.085(3) Uani 1 1 d . . . . .
H9 H 0.5988 0.1780 0.3665 0.102 Uiso 1 1 calc R U . . .
C10 C 0.6239(2) 0.1233(3) 0.3752(13) 0.103(3) Uani 1 1 d . . . . .
H10 H 0.6516 0.1291 0.3334 0.124 Uiso 1 1 calc R U . . .
C11 C 0.6156(3) 0.0861(3) 0.4157(12) 0.106(3) Uani 1 1 d . . . . .
H11 H 0.6378 0.0672 0.4066 0.127 Uiso 1 1 calc R U . . .
C12 C 0.5031(2) 0.30575(19) 0.6185(7) 0.0589(17) Uani 1 1 d . . . . .
H12 H 0.5041 0.2924 0.7026 0.071 Uiso 1 1 calc R U . . .
C13 C 0.5056(2) 0.3452(2) 0.6189(8) 0.0630(18) Uani 1 1 d . . . . .
H13 H 0.5088 0.3583 0.7030 0.076 Uiso 1 1 calc R U . . .
C14 C 0.44527(19) 0.23008(16) 0.5024(7) 0.0529(15) Uani 1 1 d . . . . .
C15 C 0.43511(19) 0.19018(17) 0.5122(8) 0.0571(16) Uani 1 1 d . . . . .
C16 C 0.3685(2) 0.2233(2) 0.5315(7) 0.0635(18) Uani 1 1 d . . . . .
C17 C 0.4023(2) 0.25136(17) 0.5148(7) 0.0540(15) Uani 1 1 d . . . . .
C18 C 0.3905(2) 0.2901(2) 0.5170(8) 0.0693(19) Uani 1 1 d . . . . .
H18 H 0.4125 0.3092 0.5065 0.083 Uiso 1 1 calc R U . . .
C19 C 0.3455(2) 0.2998(2) 0.5352(9) 0.079(2) Uani 1 1 d . . . . .
H19 H 0.3370 0.3256 0.5387 0.094 Uiso 1 1 calc R U . . .
C20 C 0.3127(3) 0.2712(3) 0.5481(9) 0.089(3) Uani 1 1 d . . . . .
H20 H 0.2825 0.2784 0.5590 0.107 Uiso 1 1 calc R U . . .
C21 C 0.3236(2) 0.2330(2) 0.5454(9) 0.080(2) Uani 1 1 d . . . . .
H21 H 0.3012 0.2141 0.5527 0.096 Uiso 1 1 calc R U . . .
C22 C 0.3613(3) 0.1512(2) 0.5556(13) 0.108(3) Uani 1 1 d . . . . .
H22A H 0.3299 0.1580 0.5675 0.162 Uiso 1 1 calc R U . . .
H22B H 0.3721 0.1384 0.6380 0.162 Uiso 1 1 calc R U . . .
H22C H 0.3643 0.1342 0.4770 0.162 Uiso 1 1 calc R U . . .
C23 C 0.46919(19) 0.16201(16) 0.5037(7) 0.0525(15) Uani 1 1 d . . . . .
C24 C 0.5738(2) 0.22886(16) 0.5009(7) 0.0549(16) Uani 1 1 d . . . . .
C25 C 0.5955(2) 0.25050(19) 0.3977(8) 0.0659(19) Uani 1 1 d . . . . .
H25 H 0.5791 0.2590 0.3206 0.079 Uiso 1 1 calc R U . . .
C26 C 0.6414(3) 0.2594(2) 0.4092(10) 0.085(2) Uani 1 1 d . . . . .
H26 H 0.6557 0.2735 0.3391 0.101 Uiso 1 1 calc R U . . .
C27 C 0.6654(3) 0.2478(2) 0.5224(11) 0.081(2) Uani 1 1 d . . . . .
H27 H 0.6963 0.2532 0.5278 0.097 Uiso 1 1 calc R U . . .
C28 C 0.6444(2) 0.2281(2) 0.6297(10) 0.079(2) Uani 1 1 d . . . . .
H28 H 0.6607 0.2214 0.7092 0.094 Uiso 1 1 calc R U . . .
C29 C 0.5991(2) 0.21833(19) 0.6185(8) 0.0644(18) Uani 1 1 d . . . . .
H29 H 0.5851 0.2046 0.6900 0.077 Uiso 1 1 calc R U . . .
C30 C 0.5393(2) 0.10598(18) 0.4874(8) 0.0686(19) Uani 1 1 d . . . . .
C31 C 0.4949(3) 0.0954(2) 0.5221(8) 0.072(2) Uani 1 1 d . . . . .
H31 H 0.4886 0.0699 0.5460 0.086 Uiso 1 1 calc R U . . .
C32 C 0.4609(2) 0.12168(19) 0.5214(9) 0.072(2) Uani 1 1 d . . . . .
H32 H 0.4312 0.1132 0.5328 0.087 Uiso 1 1 calc R U . . .
C33 C 0.5735(3) 0.0772(2) 0.4703(10) 0.090(3) Uani 1 1 d . . . . .
H33 H 0.5674 0.0519 0.4965 0.108 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
C2 O1 C1 118.7(7) . . ?
C12 C34 C4 117.3(5) . . ?
C12 C34 C5 121.7(6) . . ?
C4 C34 C5 120.8(5) . . ?
C15 N1 C16 108.3(5) . . ?
C15 N1 C22 129.2(5) . . ?
C16 N1 C22 122.4(6) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 115.1(7) . . ?
C3 C2 C13 119.6(5) . . ?
O1 C2 C13 125.3(7) . . ?
C2 C3 C4 119.7(6) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C34 121.8(6) . . ?
C3 C4 H4 119.1 . . ?
C34 C4 H4 119.1 . . ?
C6 C5 C14 119.5(5) . . ?
C6 C5 C34 123.9(5) . . ?
C14 C5 C34 116.6(5) . . ?
C5 C6 C7 120.2(5) . . ?
C5 C6 C24 118.0(5) . . ?
C7 C6 C24 121.4(5) . . ?
C23 C7 C6 120.2(5) . . ?
C23 C7 C8 117.6(5) . . ?
C6 C7 C8 122.1(5) . . ?
C9 C8 C30 117.7(6) . . ?
C9 C8 C7 123.4(6) . . ?
C30 C8 C7 118.7(6) . . ?
C8 C9 C10 120.3(7) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 122.0(8) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C33 118.8(7) . . ?
C10 C11 H11 120.6 . . ?
C33 C11 H11 120.6 . . ?
C13 C12 C34 121.1(6) . . ?
C13 C12 H12 119.5 . . ?
C34 C12 H12 119.5 . . ?
C12 C13 C2 120.5(6) . . ?
C12 C13 H13 119.7 . . ?
C2 C13 H13 119.7 . . ?
C15 C14 C5 120.0(5) . . ?
C15 C14 C17 107.6(5) . . ?
C5 C14 C17 132.2(5) . . ?
C23 C15 N1 130.2(6) . . ?
C23 C15 C14 121.6(5) . . ?
N1 C15 C14 108.2(5) . . ?
C21 C16 C17 121.7(6) . . ?
C21 C16 N1 128.2(6) . . ?
C17 C16 N1 110.1(5) . . ?
C18 C17 C16 119.4(6) . . ?
C18 C17 C14 134.8(6) . . ?
C16 C17 C14 105.8(5) . . ?
C19 C18 C17 118.7(6) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
C18 C19 C20 120.4(7) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C21 C20 C19 122.0(7) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C20 C21 C16 117.7(7) . . ?
C20 C21 H21 121.1 . . ?
C16 C21 H21 121.1 . . ?
N1 C22 H22A 109.5 . . ?
N1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C23 C32 123.5(6) . . ?
C15 C23 C7 118.0(5) . . ?
C32 C23 C7 118.4(5) . . ?
C25 C24 C29 118.0(6) . . ?
C25 C24 C6 122.6(6) . . ?
C29 C24 C6 119.4(6) . . ?
C26 C25 C24 120.5(7) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C25 120.2(8) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 120.7(7) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C29 C28 C27 119.6(8) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C24 120.9(7) . . ?
C28 C29 H29 119.6 . . ?
C24 C29 H29 119.6 . . ?
C31 C30 C8 120.1(6) . . ?
C31 C30 C33 120.3(7) . . ?
C8 C30 C33 119.3(7) . . ?
C32 C31 C30 120.9(6) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C23 122.3(6) . . ?
C31 C32 H32 118.9 . . ?
C23 C32 H32 118.9 . . ?
C11 C33 C30 121.4(8) . . ?
C11 C33 H33 119.3 . . ?
C30 C33 H33 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
O1 C2 1.370(7) . ?
O1 C1 1.472(12) . ?
C34 C12 1.386(9) . ?
C34 C4 1.387(9) . ?
C34 C5 1.500(8) . ?
N1 C15 1.403(7) . ?
N1 C16 1.405(8) . ?
N1 C22 1.465(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.363(10) . ?
C2 C13 1.382(10) . ?
C3 C4 1.378(9) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 C6 1.395(8) . ?
C5 C14 1.420(8) . ?
C6 C7 1.434(8) . ?
C6 C24 1.492(8) . ?
C7 C23 1.434(8) . ?
C7 C8 1.468(8) . ?
C8 C9 1.404(9) . ?
C8 C30 1.417(9) . ?
C9 C10 1.406(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(12) . ?
C10 H10 0.9300 . ?
C11 C33 1.377(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.366(8) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.416(8) . ?
C14 C17 1.467(8) . ?
C15 C23 1.400(8) . ?
C16 C21 1.370(9) . ?
C16 C17 1.400(9) . ?
C17 C18 1.385(9) . ?
C18 C19 1.375(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(11) . ?
C19 H19 0.9300 . ?
C20 C21 1.361(11) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C32 1.426(8) . ?
C24 C25 1.396(9) . ?
C24 C29 1.399(9) . ?
C25 C26 1.388(10) . ?
C25 H25 0.9300 . ?
C26 C27 1.357(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.381(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.378(9) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.397(10) . ?
C30 C33 1.424(10) . ?
C31 C32 1.351(9) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 O1 C2 C3 175.0(7) . . . . ?
C1 O1 C2 C13 -4.4(10) . . . . ?
O1 C2 C3 C4 -177.3(6) . . . . ?
C13 C2 C3 C4 2.2(9) . . . . ?
C2 C3 C4 C34 0.0(10) . . . . ?
C12 C34 C4 C3 -1.6(8) . . . . ?
C5 C34 C4 C3 172.7(5) . . . . ?
C12 C34 C5 C6 -92.2(8) . . . . ?
C4 C34 C5 C6 93.7(8) . . . . ?
C12 C34 C5 C14 85.9(7) . . . . ?
C4 C34 C5 C14 -88.2(7) . . . . ?
C14 C5 C6 C7 2.9(9) . . . . ?
C34 C5 C6 C7 -179.1(6) . . . . ?
C14 C5 C6 C24 -170.1(6) . . . . ?
C34 C5 C6 C24 8.0(9) . . . . ?
C5 C6 C7 C23 -7.6(9) . . . . ?
C24 C6 C7 C23 165.1(6) . . . . ?
C5 C6 C7 C8 171.0(6) . . . . ?
C24 C6 C7 C8 -16.3(9) . . . . ?
C23 C7 C8 C9 159.9(7) . . . . ?
C6 C7 C8 C9 -18.8(10) . . . . ?
C23 C7 C8 C30 -16.0(9) . . . . ?
C6 C7 C8 C30 165.3(6) . . . . ?
C30 C8 C9 C10 -5.4(11) . . . . ?
C7 C8 C9 C10 178.7(7) . . . . ?
C8 C9 C10 C11 -0.3(14) . . . . ?
C9 C10 C11 C33 3.7(16) . . . . ?
C4 C34 C12 C13 1.1(9) . . . . ?
C5 C34 C12 C13 -173.2(5) . . . . ?
C34 C12 C13 C2 1.1(10) . . . . ?
C3 C2 C13 C12 -2.8(10) . . . . ?
O1 C2 C13 C12 176.6(6) . . . . ?
C6 C5 C14 C15 3.0(9) . . . . ?
C34 C5 C14 C15 -175.2(6) . . . . ?
C6 C5 C14 C17 177.7(7) . . . . ?
C34 C5 C14 C17 -0.5(10) . . . . ?
C16 N1 C15 C23 -179.6(7) . . . . ?
C22 N1 C15 C23 3.7(13) . . . . ?
C16 N1 C15 C14 0.9(8) . . . . ?
C22 N1 C15 C14 -175.9(8) . . . . ?
C5 C14 C15 C23 -4.3(10) . . . . ?
C17 C14 C15 C23 179.8(7) . . . . ?
C5 C14 C15 N1 175.3(6) . . . . ?
C17 C14 C15 N1 -0.6(8) . . . . ?
C15 N1 C16 C21 179.1(7) . . . . ?
C22 N1 C16 C21 -3.8(12) . . . . ?
C15 N1 C16 C17 -0.8(8) . . . . ?
C22 N1 C16 C17 176.2(8) . . . . ?
C21 C16 C17 C18 2.3(11) . . . . ?
N1 C16 C17 C18 -177.7(6) . . . . ?
C21 C16 C17 C14 -179.5(7) . . . . ?
N1 C16 C17 C14 0.5(7) . . . . ?
C15 C14 C17 C18 177.8(8) . . . . ?
C5 C14 C17 C18 2.7(14) . . . . ?
C15 C14 C17 C16 0.1(8) . . . . ?
C5 C14 C17 C16 -175.1(7) . . . . ?
C16 C17 C18 C19 -0.3(11) . . . . ?
C14 C17 C18 C19 -177.9(8) . . . . ?
C17 C18 C19 C20 -1.2(12) . . . . ?
C18 C19 C20 C21 0.9(13) . . . . ?
C19 C20 C21 C16 1.0(13) . . . . ?
C17 C16 C21 C20 -2.6(12) . . . . ?
N1 C16 C21 C20 177.4(7) . . . . ?
N1 C15 C23 C32 -3.4(12) . . . . ?
C14 C15 C23 C32 176.1(7) . . . . ?
N1 C15 C23 C7 -179.9(6) . . . . ?
C14 C15 C23 C7 -0.4(10) . . . . ?
C6 C7 C23 C15 6.3(9) . . . . ?
C8 C7 C23 C15 -172.4(6) . . . . ?
C6 C7 C23 C32 -170.4(6) . . . . ?
C8 C7 C23 C32 10.9(9) . . . . ?
C5 C6 C24 C25 -70.0(8) . . . . ?
C7 C6 C24 C25 117.1(7) . . . . ?
C5 C6 C24 C29 113.1(7) . . . . ?
C7 C6 C24 C29 -59.7(8) . . . . ?
C29 C24 C25 C26 3.2(10) . . . . ?
C6 C24 C25 C26 -173.7(6) . . . . ?
C24 C25 C26 C27 -1.2(11) . . . . ?
C25 C26 C27 C28 -2.1(12) . . . . ?
C26 C27 C28 C29 3.3(12) . . . . ?
C27 C28 C29 C24 -1.3(11) . . . . ?
C25 C24 C29 C28 -1.9(10) . . . . ?
C6 C24 C29 C28 175.0(6) . . . . ?
C9 C8 C30 C31 -166.8(8) . . . . ?
C7 C8 C30 C31 9.3(10) . . . . ?
C9 C8 C30 C33 7.7(11) . . . . ?
C7 C8 C30 C33 -176.2(7) . . . . ?
C8 C30 C31 C32 2.9(12) . . . . ?
C33 C30 C31 C32 -171.5(8) . . . . ?
C30 C31 C32 C23 -8.4(13) . . . . ?
C15 C23 C32 C31 -175.4(8) . . . . ?
C7 C23 C32 C31 1.1(11) . . . . ?
C10 C11 C33 C30 -1.2(15) . . . . ?
C31 C30 C33 C11 169.9(9) . . . . ?
C8 C30 C33 C11 -4.6(13) . . . . ?
