#------------------------------------------------------------------------------
#$Date: 2021-07-05 21:06:38 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267225 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/06/7060689.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_7060689
loop_
_publ_author_name
'Yadav, Rahul'
'Parvin, Tasneem'
_publ_section_title
;
 Multicomponent synthesis of styryl linked
 benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted
 grinding
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10388
_journal_page_last               10395
_journal_paper_doi               10.1039/D1NJ00770J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C29 H18 F N3 O2'
_chemical_formula_sum            'C29 H18 F N3 O2'
_chemical_formula_weight         459.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-02-05 deposited with the CCDC.	2021-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 123.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.177(4)
_cell_length_b                   12.753(5)
_cell_length_c                   11.653(4)
_cell_measurement_reflns_used    5942
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.38
_cell_measurement_theta_min      2.65
_cell_volume                     1143.4(8)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker axs kappa apex3 Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_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  0.2956
_diffrn_reflns_av_unetI/netI     0.2306
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10931
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        20.000
_diffrn_reflns_theta_max         20.000
_diffrn_reflns_theta_min         2.647
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6325
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
;
 Flack x determined using 260 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -2.5(10)
_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     316
_refine_ls_number_reflns         2133
_refine_ls_number_restraints     196
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.2444
_refine_ls_R_factor_gt           0.0817
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0785P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1479
_refine_ls_wR_factor_ref         0.2121
_reflns_Friedel_coverage         0.982
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                833
_reflns_number_total             2133
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj00770j2.cif
_cod_data_source_block           NEW
_cod_depositor_comments
'Adding full bibliography for 7060689--7060690.cif.'
_cod_original_cell_volume        1143.3(8)
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               7060689
_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.
;
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.991
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, 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 0.907(4) 0.153(2) 0.584(3) 0.085(10) Uani 1 1 d . . . . .
H1 H 0.925434 0.172674 0.668163 0.102 Uiso 1 1 calc R U . . .
C2 C 1.007(4) 0.066(2) 0.578(4) 0.098(10) Uani 1 1 d . . . . .
H2 H 1.089580 0.028807 0.654649 0.118 Uiso 1 1 calc R U . . .
C3 C 0.968(5) 0.046(2) 0.447(4) 0.106(12) Uani 1 1 d . . . . .
C4 C 0.856(4) 0.0995(18) 0.333(4) 0.081(9) Uani 1 1 d . . . . .
H4 H 0.840417 0.082206 0.249471 0.098 Uiso 1 1 calc R U . . .
C5 C 0.762(4) 0.1826(18) 0.342(3) 0.075(9) Uani 1 1 d . . . . .
H5 H 0.684497 0.221585 0.264976 0.090 Uiso 1 1 calc R U . . .
C6 C 0.785(3) 0.206(2) 0.467(3) 0.066(8) Uani 1 1 d . . . . .
C7 C 0.693(3) 0.2942(18) 0.487(3) 0.049(8) Uani 1 1 d . . . . .
H7 H 0.715194 0.302874 0.574226 0.059 Uiso 1 1 calc R U . . .
C8 C 0.583(3) 0.361(2) 0.392(3) 0.058(9) Uani 1 1 d . . . . .
H8 H 0.555109 0.352901 0.303353 0.070 Uiso 1 1 calc R U . . .
C9 C 0.502(3) 0.447(2) 0.422(3) 0.053(8) Uani 1 1 d . . . . .
C10 C 0.524(3) 0.556(2) 0.403(2) 0.044(7) Uani 1 1 d . . . . .
C11 C 0.631(4) 0.585(2) 0.346(3) 0.057(8) Uani 1 1 d D . . . .
C12 C 0.655(4) 0.700(2) 0.336(3) 0.071(9) Uani 1 1 d D . . . .
C13 C 0.577(3) 0.779(2) 0.377(3) 0.059(8) Uani 1 1 d . . . . .
C14 C 0.593(3) 0.8890(18) 0.362(3) 0.078(10) Uani 1 1 d . . . . .
H14 H 0.655845 0.912137 0.325219 0.094 Uiso 1 1 calc R U . . .
C15 C 0.517(4) 0.961(2) 0.401(4) 0.113(13) Uani 1 1 d . . . . .
H15 H 0.534460 1.031937 0.395053 0.135 Uiso 1 1 calc R U . . .
C16 C 0.415(4) 0.933(2) 0.449(4) 0.108(11) Uani 1 1 d . . . . .
H16 H 0.357839 0.983649 0.468010 0.129 Uiso 1 1 calc R U . . .
C17 C 0.397(4) 0.824(2) 0.471(3) 0.079(9) Uani 1 1 d . . . . .
H17 H 0.334801 0.803806 0.509366 0.095 Uiso 1 1 calc R U . . .
C18 C 0.475(3) 0.748(2) 0.432(3) 0.063(9) Uani 1 1 d D . . . .
C19 C 0.453(4) 0.634(2) 0.447(3) 0.062(8) Uani 1 1 d D . . . .
C20 C 0.334(3) 0.511(2) 0.514(3) 0.051(7) Uani 1 1 d . . . . .
C21 C 0.400(3) 0.427(2) 0.477(3) 0.058(8) Uani 1 1 d . . . . .
C22 C 0.333(3) 0.335(2) 0.507(3) 0.052(7) Uani 1 1 d . . . . .
N2 N 0.235(3) 0.4710(14) 0.558(2) 0.057(6) Uani 1 1 d . . . . .
N3 N 0.238(3) 0.3623(14) 0.559(2) 0.052(6) Uani 1 1 d . . . . .
C23 C 0.136(3) 0.519(2) 0.605(3) 0.063(9) Uani 1 1 d . . . . .
C24 C 0.113(3) 0.629(2) 0.596(2) 0.058(8) Uani 1 1 d . . . . .
H24 H 0.160069 0.671320 0.558525 0.069 Uiso 1 1 calc R U . . .
C25 C 0.018(3) 0.672(2) 0.644(3) 0.068(9) Uani 1 1 d . . . . .
H25 H 0.003165 0.744035 0.640352 0.081 Uiso 1 1 calc R U . . .
C26 C -0.057(4) 0.610(2) 0.700(3) 0.083(10) Uani 1 1 d . . . . .
H26 H -0.120537 0.640571 0.731340 0.100 Uiso 1 1 calc R U . . .
C27 C -0.033(3) 0.502(2) 0.706(3) 0.079(9) Uani 1 1 d . . . . .
H27 H -0.079135 0.459213 0.743703 0.094 Uiso 1 1 calc R U . . .
C28 C 0.061(3) 0.460(2) 0.655(3) 0.070(9) Uani 1 1 d . . . . .
H28 H 0.072453 0.387442 0.655571 0.084 Uiso 1 1 calc R U . . .
C29 C 0.351(3) 0.2198(17) 0.482(3) 0.078(10) Uani 1 1 d . . . . .
H29A H 0.421727 0.213519 0.445382 0.118 Uiso 1 1 calc R U . . .
H29B H 0.404514 0.182525 0.567681 0.118 Uiso 1 1 calc R U . . .
H29C H 0.238030 0.190800 0.419162 0.118 Uiso 1 1 calc R U . . .
F1 F 1.061(2) -0.0372(13) 0.437(2) 0.152(9) Uani 1 1 d . . . . .
N1 N 0.352(3) 0.6146(15) 0.499(2) 0.054(7) Uani 1 1 d . . . . .
O1 O 0.692(2) 0.5237(13) 0.305(2) 0.079(7) Uani 1 1 d . . . . .
O2 O 0.749(2) 0.7292(12) 0.295(2) 0.077(7) 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'
F F 0.0171 0.0103 '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
C6 C1 C2 121(3) . . ?
C6 C1 H1 119.7 . . ?
C2 C1 H1 119.7 . . ?
C3 C2 C1 114(3) . . ?
C3 C2 H2 123.1 . . ?
C1 C2 H2 123.1 . . ?
C4 C3 C2 126(4) . . ?
C4 C3 F1 118(3) . . ?
C2 C3 F1 115(4) . . ?
C3 C4 C5 119(3) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C6 C5 C4 119(3) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C1 C6 C5 121(3) . . ?
C1 C6 C7 116(3) . . ?
C5 C6 C7 123(3) . . ?
C8 C7 C6 127(3) . . ?
C8 C7 H7 116.7 . . ?
C6 C7 H7 116.7 . . ?
C7 C8 C9 123(3) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 H8 118.7 . . ?
C21 C9 C10 115(3) . . ?
C21 C9 C8 121(3) . . ?
C10 C9 C8 123(2) . . ?
C9 C10 C19 119(3) . . ?
C9 C10 C11 119(2) . . ?
C19 C10 C11 122(2) . . ?
O1 C11 C10 125(2) . . ?
O1 C11 C12 119(3) . . ?
C10 C11 C12 116(2) . . ?
O2 C12 C13 119(2) . . ?
O2 C12 C11 119(3) . . ?
C13 C12 C11 122(3) . . ?
C14 C13 C12 122(3) . . ?
C14 C13 C18 117(2) . . ?
C12 C13 C18 120(3) . . ?
C15 C14 C13 120(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 123(3) . . ?
C16 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
C15 C16 C17 120(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C16 C17 C18 118(3) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
C17 C18 C13 121(2) . . ?
C17 C18 C19 120(3) . . ?
C13 C18 C19 119(2) . . ?
N1 C19 C10 126(2) . . ?
N1 C19 C18 113(2) . . ?
C10 C19 C18 121(3) . . ?
N1 C20 N2 125(2) . . ?
N1 C20 C21 127(3) . . ?
N2 C20 C21 109(2) . . ?
C9 C21 C20 120(3) . . ?
C9 C21 C22 137(3) . . ?
C20 C21 C22 103(2) . . ?
N3 C22 C21 111(2) . . ?
N3 C22 C29 120(2) . . ?
C21 C22 C29 129(3) . . ?
N3 N2 C20 111(2) . . ?
N3 N2 C23 116(2) . . ?
C20 N2 C23 133(2) . . ?
C22 N3 N2 105(2) . . ?
C28 C23 C24 120(3) . . ?
C28 C23 N2 120(2) . . ?
C24 C23 N2 119(2) . . ?
C25 C24 C23 117(3) . . ?
C25 C24 H24 121.4 . . ?
C23 C24 H24 121.4 . . ?
C24 C25 C26 123(3) . . ?
C24 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
C25 C26 C27 119(3) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C28 C27 C26 118(3) . . ?
C28 C27 H27 120.9 . . ?
C26 C27 H27 120.9 . . ?
C23 C28 C27 123(3) . . ?
C23 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
C22 C29 H29A 109.5 . . ?
C22 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C22 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C20 N1 C19 113(2) . . ?
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 C6 1.38(3) . ?
C1 C2 1.47(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.39(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.34(4) . ?
C3 F1 1.41(3) . ?
C4 C5 1.41(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.38(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.50(3) . ?
C7 C8 1.32(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.47(3) . ?
C8 H8 0.9300 . ?
C9 C21 1.41(3) . ?
C9 C10 1.44(3) . ?
C10 C19 1.42(3) . ?
C10 C11 1.51(3) . ?
C11 O1 1.20(3) . ?
C11 C12 1.51(2) . ?
C12 O2 1.25(3) . ?
C12 C13 1.46(3) . ?
C13 C14 1.43(3) . ?
C13 C18 1.45(3) . ?
C14 C15 1.38(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.38(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.43(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.42(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.50(2) . ?
C19 N1 1.38(2) . ?
C20 N1 1.36(3) . ?
C20 N2 1.36(3) . ?
C20 C21 1.41(3) . ?
C21 C22 1.45(3) . ?
C22 N3 1.35(3) . ?
C22 C29 1.52(3) . ?
N2 N3 1.39(2) . ?
N2 C23 1.43(3) . ?
C23 C28 1.35(3) . ?
C23 C24 1.42(3) . ?
C24 C25 1.38(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.42(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.38(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.40(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
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
C6 C1 C2 C3 0(4) . . . . ?
C1 C2 C3 C4 3(5) . . . . ?
C1 C2 C3 F1 -180(2) . . . . ?
C2 C3 C4 C5 -3(5) . . . . ?
F1 C3 C4 C5 -180(2) . . . . ?
C3 C4 C5 C6 -1(4) . . . . ?
C2 C1 C6 C5 -4(4) . . . . ?
C2 C1 C6 C7 -179(2) . . . . ?
C4 C5 C6 C1 4(4) . . . . ?
C4 C5 C6 C7 179(2) . . . . ?
C1 C6 C7 C8 174(3) . . . . ?
C5 C6 C7 C8 -1(4) . . . . ?
C6 C7 C8 C9 -178(2) . . . . ?
C7 C8 C9 C21 -59(4) . . . . ?
C7 C8 C9 C10 119(3) . . . . ?
C21 C9 C10 C19 4(3) . . . . ?
C8 C9 C10 C19 -174(3) . . . . ?
C21 C9 C10 C11 180(2) . . . . ?
C8 C9 C10 C11 2(4) . . . . ?
C9 C10 C11 O1 5(4) . . . . ?
C19 C10 C11 O1 -179(3) . . . . ?
C9 C10 C11 C12 -177(2) . . . . ?
C19 C10 C11 C12 -1(3) . . . . ?
O1 C11 C12 O2 -6(4) . . . . ?
C10 C11 C12 O2 176(3) . . . . ?
O1 C11 C12 C13 177(3) . . . . ?
C10 C11 C12 C13 -1(4) . . . . ?
O2 C12 C13 C14 6(5) . . . . ?
C11 C12 C13 C14 -177(3) . . . . ?
O2 C12 C13 C18 -176(3) . . . . ?
C11 C12 C13 C18 1(4) . . . . ?
C12 C13 C14 C15 179(3) . . . . ?
C18 C13 C14 C15 1(4) . . . . ?
C13 C14 C15 C16 -4(6) . . . . ?
C14 C15 C16 C17 5(6) . . . . ?
C15 C16 C17 C18 -4(5) . . . . ?
C16 C17 C18 C13 2(4) . . . . ?
C16 C17 C18 C19 -177(3) . . . . ?
C14 C13 C18 C17 -1(4) . . . . ?
C12 C13 C18 C17 -179(3) . . . . ?
C14 C13 C18 C19 179(2) . . . . ?
C12 C13 C18 C19 1(4) . . . . ?
C9 C10 C19 N1 -5(4) . . . . ?
C11 C10 C19 N1 179(2) . . . . ?
C9 C10 C19 C18 179(2) . . . . ?
C11 C10 C19 C18 3(4) . . . . ?
C17 C18 C19 N1 1(4) . . . . ?
C13 C18 C19 N1 -179(2) . . . . ?
C17 C18 C19 C10 177(3) . . . . ?
C13 C18 C19 C10 -3(4) . . . . ?
C10 C9 C21 C20 -2(4) . . . . ?
C8 C9 C21 C20 176(2) . . . . ?
C10 C9 C21 C22 176(3) . . . . ?
C8 C9 C21 C22 -6(5) . . . . ?
N1 C20 C21 C9 2(4) . . . . ?
N2 C20 C21 C9 178(2) . . . . ?
N1 C20 C21 C22 -177(3) . . . . ?
N2 C20 C21 C22 -1(3) . . . . ?
C9 C21 C22 N3 -179(3) . . . . ?
C20 C21 C22 N3 -1(3) . . . . ?
C9 C21 C22 C29 -2(5) . . . . ?
C20 C21 C22 C29 177(3) . . . . ?
N1 C20 N2 N3 178(2) . . . . ?
C21 C20 N2 N3 3(3) . . . . ?
N1 C20 N2 C23 -3(5) . . . . ?
C21 C20 N2 C23 -179(3) . . . . ?
C21 C22 N3 N2 2(3) . . . . ?
C29 C22 N3 N2 -175(2) . . . . ?
C20 N2 N3 C22 -3(3) . . . . ?
C23 N2 N3 C22 178(2) . . . . ?
N3 N2 C23 C28 4(4) . . . . ?
C20 N2 C23 C28 -174(3) . . . . ?
N3 N2 C23 C24 -174(3) . . . . ?
C20 N2 C23 C24 7(5) . . . . ?
C28 C23 C24 C25 3(4) . . . . ?
N2 C23 C24 C25 -179(2) . . . . ?
C23 C24 C25 C26 -1(4) . . . . ?
C24 C25 C26 C27 0(5) . . . . ?
C25 C26 C27 C28 -1(5) . . . . ?
C24 C23 C28 C27 -4(5) . . . . ?
N2 C23 C28 C27 178(3) . . . . ?
C26 C27 C28 C23 3(5) . . . . ?
N2 C20 N1 C19 -178(2) . . . . ?
C21 C20 N1 C19 -3(4) . . . . ?
C10 C19 N1 C20 4(4) . . . . ?
C18 C19 N1 C20 -180(2) . . . . ?
