#------------------------------------------------------------------------------
#$Date: 2025-08-22 12:33:34 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301861 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/11/7151194.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_7151194
loop_
_publ_author_name
'Manpadi, Madhuri'
'Uglinskii, Pavel Y.'
'Rastogi, Shiva K.'
'Cotter, Karen M.'
'Wong, Yin-Shan C'
'Anderson, Lisa A.'
'Ortega, Amber J.'
'Van Slambrouck, Severine'
'Steelant, Wim F. A.'
'Rogelj, Snezna'
'Tongwa, Paul'
'Antipin, Mikhail Yu'
'Magedov, Igor V.'
'Kornienko, Alexander'
_publ_section_title
;
 Three-component synthesis and anticancer evaluation of polycyclic
 indenopyridines lead to the discovery of a novel indenoheterocycle
 with potent apoptosis inducing properties.
;
_journal_issue                   23
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              3865
_journal_page_last               3872
_journal_paper_doi               10.1039/b713820b
_journal_volume                  5
_journal_year                    2007
_chemical_formula_moiety         'C26 H17 N3 O3'
_chemical_formula_sum            'C26 H17 N3 O3'
_chemical_formula_weight         419.43
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.3871(16)
_cell_length_b                   18.131(3)
_cell_length_c                   19.855(3)
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4
_cell_measurement_theta_min      2.2
_cell_volume                     4099.3(11)
_computing_cell_refinement       'SAINT+ ver. 6.2 (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT+ ver. 6.2 (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL ver. 6.12 (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL ver. 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXTL ver. 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL ver. 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0911
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            69722
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.9720
_exptl_absorpt_correction_T_min  0.9459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5418
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+2.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                3443
_reflns_number_total             5418
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b713820b.txt
_cod_data_source_block           paul1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4099.2(10)
_cod_original_sg_symbol_Hall     '-P 2ac 2ab '
_cod_database_code               7151194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.09850(10) 0.16398(7) 0.32452(6) 0.0290(3) Uani 1 1 d . . .
O2 O 0.31884(10) 0.17517(7) 0.51086(6) 0.0311(3) Uani 1 1 d . . .
O3 O 0.28588(10) -0.02429(7) 0.25168(6) 0.0319(3) Uani 1 1 d . . .
N1 N 0.57292(11) -0.05101(7) 0.30489(6) 0.0219(3) Uani 1 1 d . . .
H1AA H 0.6407 -0.0743 0.3040 0.026 Uiso 1 1 calc R . .
N2 N 0.60521(12) 0.01976(7) 0.40368(6) 0.0213(3) Uani 1 1 d . . .
N3 N 0.48147(11) -0.05702(7) 0.25772(7) 0.0220(3) Uani 1 1 d . . .
C1 C 0.41773(16) -0.10858(10) 0.15123(9) 0.0273(4) Uani 1 1 d . . .
H1A H 0.3762(16) -0.0654(11) 0.1409(9) 0.030(5) Uiso 1 1 d . . .
C2 C 0.41590(17) -0.16639(11) 0.10535(9) 0.0322(4) Uani 1 1 d . . .
H2A H 0.3712(18) -0.1617(11) 0.0645(11) 0.044(6) Uiso 1 1 d . . .
C3 C 0.48147(16) -0.22957(10) 0.11738(9) 0.0315(4) Uani 1 1 d . . .
H3A H 0.4797(16) -0.2702(10) 0.0831(9) 0.033(5) Uiso 1 1 d . . .
C4 C 0.54904(16) -0.23538(10) 0.17498(9) 0.0286(4) Uani 1 1 d . . .
H4A H 0.5945(16) -0.2806(10) 0.1836(9) 0.029(5) Uiso 1 1 d . . .
C5 C 0.55030(15) -0.17839(9) 0.22187(9) 0.0247(4) Uani 1 1 d . . .
H5A H 0.5905(17) -0.1828(10) 0.2628(9) 0.033(5) Uiso 1 1 d . . .
C6 C 0.48398(14) -0.11541(9) 0.20988(8) 0.0213(3) Uani 1 1 d . . .
C9 C 0.38259(14) -0.01971(9) 0.27953(8) 0.0229(3) Uani 1 1 d . . .
C11 C 0.53602(13) -0.00205(9) 0.35225(7) 0.0197(3) Uani 1 1 d . . .
C12 C 0.42916(14) 0.08772(8) 0.44081(8) 0.0199(3) Uani 1 1 d . . .
C13 C 0.41937(13) 0.01966(9) 0.34003(8) 0.0204(3) Uani 1 1 d . . .
C15 C 0.36044(14) 0.06659(9) 0.38561(8) 0.0202(3) Uani 1 1 d . . .
C16 C 0.23853(14) 0.09158(9) 0.37237(8) 0.0208(3) Uani 1 1 d . . .
C17 C 0.20834(14) 0.11578(9) 0.30769(8) 0.0225(3) Uani 1 1 d . . .
H17A H 0.2684(15) 0.1148(9) 0.2699(8) 0.019(4) Uiso 1 1 d . . .
C18 C 0.09518(15) 0.13936(9) 0.29363(8) 0.0240(3) Uani 1 1 d . . .
H18A H 0.0783(15) 0.1595(9) 0.2477(9) 0.024(4) Uiso 1 1 d . . .
C19 C 0.00953(14) 0.13791(9) 0.34368(8) 0.0238(3) Uani 1 1 d . . .
C21 C -0.19177(17) 0.16081(12) 0.37342(11) 0.0339(4) Uani 1 1 d . . .
H21A H -0.256(2) 0.1844(13) 0.3507(11) 0.058(7) Uiso 1 1 d . . .
H21B H -0.2086(17) 0.1083(12) 0.3875(9) 0.039(6) Uiso 1 1 d . . .
H21C H -0.1755(18) 0.1940(12) 0.4148(11) 0.045(6) Uiso 1 1 d . . .
C22 C 0.03748(15) 0.11324(9) 0.40815(8) 0.0241(3) Uani 1 1 d . . .
H22A H -0.0189(16) 0.1125(10) 0.4437(9) 0.029(5) Uiso 1 1 d . . .
C23 C 0.15205(15) 0.09090(9) 0.42208(8) 0.0228(3) Uani 1 1 d . . .
H23A H 0.1731(14) 0.0747(9) 0.4684(8) 0.021(4) Uiso 1 1 d . . .
C24 C 0.54813(13) 0.06385(8) 0.44593(8) 0.0196(3) Uani 1 1 d . . .
C25 C 0.60258(14) 0.09737(8) 0.50603(8) 0.0213(3) Uani 1 1 d . . .
C26 C 0.51937(14) 0.14232(9) 0.53759(8) 0.0220(3) Uani 1 1 d . . .
C27 C 0.40722(15) 0.13954(9) 0.49841(8) 0.0225(3) Uani 1 1 d . . .
C29 C 0.71517(15) 0.09004(9) 0.53216(8) 0.0247(4) Uani 1 1 d . . .
H29A H 0.7737(16) 0.0587(9) 0.5093(8) 0.024(5) Uiso 1 1 d . . .
C30 C 0.74224(17) 0.12847(10) 0.59076(9) 0.0287(4) Uani 1 1 d . . .
H30A H 0.8158(17) 0.1242(10) 0.6114(9) 0.027(5) Uiso 1 1 d . . .
C31 C 0.65946(17) 0.17338(10) 0.62225(9) 0.0299(4) Uani 1 1 d . . .
H31A H 0.6807(16) 0.2005(10) 0.6616(9) 0.031(5) Uiso 1 1 d . . .
C32 C 0.54612(16) 0.18094(9) 0.59579(8) 0.0263(4) Uani 1 1 d . . .
H32A H 0.4886(16) 0.2129(10) 0.6165(9) 0.025(5) Uiso 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
C19 O1 C21 117.44(14) . . ?
C11 N1 N3 106.42(12) . . ?
C11 N1 H1AA 126.8 . . ?
N3 N1 H1AA 126.8 . . ?
C24 N2 C11 111.63(14) . . ?
C9 N3 N1 110.90(12) . . ?
C9 N3 C6 126.12(13) . . ?
N1 N3 C6 119.20(13) . . ?
C2 C1 C6 119.30(17) . . ?
C2 C1 H1A 118.6(11) . . ?
C6 C1 H1A 122.0(11) . . ?
C3 C2 C1 120.12(17) . . ?
C3 C2 H2A 120.2(12) . . ?
C1 C2 H2A 119.7(12) . . ?
C4 C3 C2 120.30(16) . . ?
C4 C3 H3A 121.1(11) . . ?
C2 C3 H3A 118.6(11) . . ?
C3 C4 C5 120.19(17) . . ?
C3 C4 H4A 120.0(10) . . ?
C5 C4 H4A 119.8(10) . . ?
C6 C5 C4 119.36(16) . . ?
C6 C5 H5A 118.9(12) . . ?
C4 C5 H5A 121.5(12) . . ?
C5 C6 C1 120.70(15) . . ?
C5 C6 N3 120.54(14) . . ?
C1 C6 N3 118.75(15) . . ?
O3 C9 N3 123.55(15) . . ?
O3 C9 C13 131.12(15) . . ?
N3 C9 C13 105.28(13) . . ?
N2 C11 N1 122.31(14) . . ?
N2 C11 C13 126.87(14) . . ?
N1 C11 C13 110.81(13) . . ?
C15 C12 C24 120.24(14) . . ?
C15 C12 C27 132.43(15) . . ?
C24 C12 C27 107.09(13) . . ?
C11 C13 C15 120.47(14) . . ?
C11 C13 C9 106.03(14) . . ?
C15 C13 C9 133.34(14) . . ?
C12 C15 C13 113.65(14) . . ?
C12 C15 C16 125.31(14) . . ?
C13 C15 C16 121.01(14) . . ?
C23 C16 C17 118.60(15) . . ?
C23 C16 C15 122.19(14) . . ?
C17 C16 C15 119.21(14) . . ?
C18 C17 C16 120.65(15) . . ?
C18 C17 H17A 118.8(9) . . ?
C16 C17 H17A 120.5(9) . . ?
C17 C18 C19 120.10(15) . . ?
C17 C18 H18A 118.3(10) . . ?
C19 C18 H18A 121.5(10) . . ?
O1 C19 C18 115.08(14) . . ?
O1 C19 C22 124.78(15) . . ?
C18 C19 C22 120.12(15) . . ?
O1 C21 H21A 103.0(14) . . ?
O1 C21 H21B 111.3(11) . . ?
H21A C21 H21B 114.0(18) . . ?
O1 C21 H21C 112.4(12) . . ?
H21A C21 H21C 104.5(18) . . ?
H21B C21 H21C 111.2(16) . . ?
C19 C22 C23 119.31(15) . . ?
C19 C22 H22A 122.0(11) . . ?
C23 C22 H22A 118.6(11) . . ?
C22 C23 C16 121.21(15) . . ?
C22 C23 H23A 119.7(10) . . ?
C16 C23 H23A 119.1(10) . . ?
N2 C24 C12 127.05(14) . . ?
N2 C24 C25 123.56(14) . . ?
C12 C24 C25 109.38(13) . . ?
C29 C25 C26 120.91(15) . . ?
C29 C25 C24 130.56(15) . . ?
C26 C25 C24 108.53(14) . . ?
C32 C26 C25 121.30(16) . . ?
C32 C26 C27 129.69(16) . . ?
C25 C26 C27 109.01(13) . . ?
O2 C27 C26 125.47(15) . . ?
O2 C27 C12 128.51(15) . . ?
C26 C27 C12 105.97(13) . . ?
C25 C29 C30 117.97(16) . . ?
C25 C29 H29A 120.5(10) . . ?
C30 C29 H29A 121.6(10) . . ?
C29 C30 C31 121.21(17) . . ?
C29 C30 H30A 121.5(11) . . ?
C31 C30 H30A 117.2(11) . . ?
C30 C31 C32 120.81(16) . . ?
C30 C31 H31A 119.8(11) . . ?
C32 C31 H31A 119.3(11) . . ?
C26 C32 C31 117.79(16) . . ?
C26 C32 H32A 120.5(10) . . ?
C31 C32 H32A 121.7(10) . . ?
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 C19 1.3716(19) . ?
O1 C21 1.440(2) . ?
O2 C27 1.2211(19) . ?
O3 C9 1.2351(19) . ?
N1 C11 1.3596(19) . ?
N1 N3 1.4048(18) . ?
N1 H1AA 0.8800 . ?
N2 C24 1.329(2) . ?
N2 C11 1.3491(19) . ?
N3 C9 1.383(2) . ?
N3 C6 1.423(2) . ?
C1 C2 1.389(2) . ?
C1 C6 1.393(2) . ?
C1 H1A 0.937(19) . ?
C2 C3 1.388(3) . ?
C2 H2A 0.96(2) . ?
C3 C4 1.382(3) . ?
C3 H3A 1.003(19) . ?
C4 C5 1.391(2) . ?
C4 H4A 0.984(19) . ?
C5 C6 1.390(2) . ?
C5 H5A 0.936(19) . ?
C9 C13 1.459(2) . ?
C11 C13 1.407(2) . ?
C12 C15 1.400(2) . ?
C12 C24 1.426(2) . ?
C12 C27 1.501(2) . ?
C13 C15 1.412(2) . ?
C15 C16 1.484(2) . ?
C16 C23 1.394(2) . ?
C16 C17 1.400(2) . ?
C17 C18 1.386(2) . ?
C17 H17A 1.015(16) . ?
C18 C19 1.393(2) . ?
C18 H18A 1.001(17) . ?
C19 C22 1.393(2) . ?
C21 H21A 0.96(2) . ?
C21 H21B 1.01(2) . ?
C21 H21C 1.03(2) . ?
C22 C23 1.394(2) . ?
C22 H22A 0.954(18) . ?
C23 H23A 0.995(16) . ?
C24 C25 1.476(2) . ?
C25 C29 1.389(2) . ?
C25 C26 1.398(2) . ?
C26 C32 1.385(2) . ?
C26 C27 1.496(2) . ?
C29 C30 1.391(2) . ?
C29 H29A 0.987(18) . ?
C30 C31 1.394(3) . ?
C30 H30A 0.935(19) . ?
C31 C32 1.400(3) . ?
C31 H31A 0.954(19) . ?
C32 H32A 0.966(18) . ?
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
C11 N1 N3 C9 -7.58(17) . . . . ?
C11 N1 N3 C6 -167.02(13) . . . . ?
C6 C1 C2 C3 -1.3(3) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C3 C4 C5 C6 -0.6(2) . . . . ?
C4 C5 C6 C1 -0.8(2) . . . . ?
C4 C5 C6 N3 178.52(15) . . . . ?
C2 C1 C6 C5 1.7(3) . . . . ?
C2 C1 C6 N3 -177.56(16) . . . . ?
C9 N3 C6 C5 -134.90(17) . . . . ?
N1 N3 C6 C5 21.1(2) . . . . ?
C9 N3 C6 C1 44.4(2) . . . . ?
N1 N3 C6 C1 -159.58(15) . . . . ?
N1 N3 C9 O3 -170.34(15) . . . . ?
C6 N3 C9 O3 -12.6(3) . . . . ?
N1 N3 C9 C13 7.35(18) . . . . ?
C6 N3 C9 C13 165.05(14) . . . . ?
C24 N2 C11 N1 -175.86(14) . . . . ?
C24 N2 C11 C13 2.8(2) . . . . ?
N3 N1 C11 N2 -176.53(14) . . . . ?
N3 N1 C11 C13 4.59(17) . . . . ?
N2 C11 C13 C15 -3.1(2) . . . . ?
N1 C11 C13 C15 175.76(14) . . . . ?
N2 C11 C13 C9 -179.01(15) . . . . ?
N1 C11 C13 C9 -0.19(18) . . . . ?
O3 C9 C13 C11 173.12(18) . . . . ?
N3 C9 C13 C11 -4.33(17) . . . . ?
O3 C9 C13 C15 -2.1(3) . . . . ?
N3 C9 C13 C15 -179.53(17) . . . . ?
C24 C12 C15 C13 1.9(2) . . . . ?
C27 C12 C15 C13 175.58(16) . . . . ?
C24 C12 C15 C16 -175.88(14) . . . . ?
C27 C12 C15 C16 -2.2(3) . . . . ?
C11 C13 C15 C12 0.4(2) . . . . ?
C9 C13 C15 C12 175.01(17) . . . . ?
C11 C13 C15 C16 178.28(14) . . . . ?
C9 C13 C15 C16 -7.1(3) . . . . ?
C12 C15 C16 C23 -47.7(2) . . . . ?
C13 C15 C16 C23 134.64(17) . . . . ?
C12 C15 C16 C17 133.19(17) . . . . ?
C13 C15 C16 C17 -44.5(2) . . . . ?
C23 C16 C17 C18 0.7(2) . . . . ?
C15 C16 C17 C18 179.88(15) . . . . ?
C16 C17 C18 C19 -1.2(2) . . . . ?
C21 O1 C19 C18 177.39(16) . . . . ?
C21 O1 C19 C22 -4.5(2) . . . . ?
C17 C18 C19 O1 178.65(15) . . . . ?
C17 C18 C19 C22 0.4(3) . . . . ?
O1 C19 C22 C23 -177.31(15) . . . . ?
C18 C19 C22 C23 0.7(3) . . . . ?
C19 C22 C23 C16 -1.2(3) . . . . ?
C17 C16 C23 C22 0.4(2) . . . . ?
C15 C16 C23 C22 -178.68(15) . . . . ?
C11 N2 C24 C12 -0.2(2) . . . . ?
C11 N2 C24 C25 -178.68(14) . . . . ?
C15 C12 C24 N2 -2.2(2) . . . . ?
C27 C12 C24 N2 -177.31(15) . . . . ?
C15 C12 C24 C25 176.44(14) . . . . ?
C27 C12 C24 C25 1.35(17) . . . . ?
N2 C24 C25 C29 -2.2(3) . . . . ?
C12 C24 C25 C29 179.13(16) . . . . ?
N2 C24 C25 C26 177.97(14) . . . . ?
C12 C24 C25 C26 -0.74(17) . . . . ?
C29 C25 C26 C32 0.0(2) . . . . ?
C24 C25 C26 C32 179.86(14) . . . . ?
C29 C25 C26 C27 179.92(14) . . . . ?
C24 C25 C26 C27 -0.19(17) . . . . ?
C32 C26 C27 O2 3.4(3) . . . . ?
C25 C26 C27 O2 -176.57(15) . . . . ?
C32 C26 C27 C12 -179.07(16) . . . . ?
C25 C26 C27 C12 0.99(17) . . . . ?
C15 C12 C27 O2 1.8(3) . . . . ?
C24 C12 C27 O2 176.04(16) . . . . ?
C15 C12 C27 C26 -175.68(16) . . . . ?
C24 C12 C27 C26 -1.42(16) . . . . ?
C26 C25 C29 C30 0.3(2) . . . . ?
C24 C25 C29 C30 -179.56(16) . . . . ?
C25 C29 C30 C31 -0.4(3) . . . . ?
C29 C30 C31 C32 0.2(3) . . . . ?
C25 C26 C32 C31 -0.2(2) . . . . ?
C27 C26 C32 C31 179.90(16) . . . . ?
C30 C31 C32 C26 0.1(3) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21119813
2 PubChem 24741870
