#------------------------------------------------------------------------------
#$Date: 2025-08-19 12:43:10 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301803 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/74/2207487.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2207487
loop_
_publ_author_name
'K. Palani'
'M. N. Ponnuswamy'
'A. R. Suresh Babu'
'R. Raghunathan'
'K. Ravikumar'
_publ_section_title
4'-(4-Bromobenzoyl)-1'-methyldispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione
_journal_coeditor_code           CI6682
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4254
_journal_page_last               o4256
_journal_paper_doi               10.1107/S1600536805037888
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C26 H20 Br N3 O3'
_chemical_formula_moiety         'C26 H20 Br N3 O3'
_chemical_formula_sum            'C26 H20 Br N3 O3'
_chemical_formula_weight         502.36
_chemical_name_systematic
;
4'-(4-Bromobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-
3',3''(2''H)-indole]-2,2''-dione
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.370(2)
_cell_angle_beta                 94.036(2)
_cell_angle_gamma                101.771(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9029(11)
_cell_length_b                   10.2823(11)
_cell_length_c                   11.6261(13)
_cell_measurement_reflns_used    6845
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.5
_cell_volume                     1113.5(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1997)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type
;
Bruker SMART APEX CCD area-detector
;
_diffrn_measurement_method       ω
_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  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7084
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.880
_exptl_absorpt_correction_T_max  0.7049
_exptl_absorpt_correction_T_min  0.6935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.471
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         4942
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0505P)²+0.4461P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1143
_reflns_number_gt                3573
_reflns_number_total             4942
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6682.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2207487
_cod_database_fobs_code          2207487
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_type_symbol
Br1 0.02475(3) 0.24846(4) 0.46061(3) 0.08842(17) Uani d 1 Br
O2 0.41247(18) 0.14941(19) 0.86099(16) 0.0549(4) Uani d 1 O
N3 0.4713(2) 0.3764(2) 0.86239(19) 0.0474(5) Uani d 1 N
N2 0.6638(2) 0.0857(2) 1.0414(2) 0.0539(5) Uani d 1 N
C23 0.2081(3) 0.2311(3) 0.4979(2) 0.0554(6) Uani d 1 C
N1 0.8570(2) 0.2022(2) 0.83974(18) 0.0468(5) Uani d 1 N
C7 0.8196(3) 0.4416(3) 1.0785(2) 0.0486(6) Uani d 1 C
C11 0.4939(2) 0.2484(3) 0.84719(19) 0.0419(5) Uani d 1 C
O3 0.7096(2) 0.2341(2) 0.52415(17) 0.0696(6) Uani d 1 O
C8 0.7630(2) 0.3020(2) 1.0308(2) 0.0411(5) Uani d 1 C
C17 0.5854(2) 0.4705(2) 0.8434(2) 0.0429(5) Uani d 1 C
C16 0.6902(2) 0.4022(2) 0.81273(19) 0.0395(5) Uani d 1 C
C3 0.6657(3) 0.0682(3) 0.9229(2) 0.0470(6) Uani d 1 C
C22 0.3180(3) 0.3152(3) 0.4657(3) 0.0584(7) Uani d 1 C
C10 0.6420(2) 0.2537(2) 0.81296(19) 0.0388(5) Uani d 1 C
C9 0.7164(2) 0.2220(3) 1.1069(2) 0.0474(6) Uani d 1 C
O1 0.6265(2) -0.04014(18) 0.84567(17) 0.0621(5) Uani d 1 O
C25 0.3626(3) 0.1241(3) 0.5852(2) 0.0533(6) Uani d 1 C
C21 0.4506(3) 0.3014(3) 0.4931(2) 0.0539(6) Uani d 1 C
C6 0.8265(3) 0.4981(3) 1.2012(3) 0.0589(7) Uani d 1 C
C2 0.7355(2) 0.2107(2) 0.9036(2) 0.0410(5) Uani d 1 C
C19 0.6220(3) 0.1993(3) 0.5845(2) 0.0481(6) Uani d 1 C
C20 0.4753(2) 0.2075(2) 0.55475(19) 0.0442(5) Uani d 1 C
C15 0.8142(3) 0.4744(3) 0.7891(2) 0.0502(6) Uani d 1 C
C18 0.6560(3) 0.1505(3) 0.6936(2) 0.0452(5) Uani d 1 C
C5 0.7800(3) 0.4164(3) 1.2749(3) 0.0639(8) Uani d 1 C
C24 0.2285(3) 0.1351(3) 0.5562(2) 0.0597(7) Uani d 1 C
C26 0.8046(3) 0.1310(4) 0.7133(2) 0.0577(7) Uani d 1 C
C4 0.7247(3) 0.2769(4) 1.2287(2) 0.0611(7) Uani d 1 C
C12 0.6023(3) 0.6099(3) 0.8537(3) 0.0561(7) Uani d 1 C
C14 0.8325(3) 0.6134(3) 0.8004(3) 0.0586(7) Uani d 1 C
C1 0.9623(3) 0.1451(4) 0.8909(3) 0.0631(8) Uani d 1 C
C13 0.7282(3) 0.6798(3) 0.8328(3) 0.0623(7) Uani d 1 C
H24 0.152(3) 0.080(3) 0.580(3) 0.074(9) Uiso d 1 H
H13 0.741(3) 0.772(3) 0.835(3) 0.075(9) Uiso d 1 H
H18 0.593(2) 0.069(2) 0.6863(19) 0.035(6) Uiso d 1 H
H7 0.853(3) 0.498(2) 1.032(2) 0.044(7) Uiso d 1 H
H3 0.401(3) 0.395(3) 0.883(2) 0.045(7) Uiso d 1 H
H25 0.375(3) 0.060(3) 0.626(2) 0.050(7) Uiso d 1 H
H4 0.691(3) 0.221(3) 1.277(3) 0.058(8) Uiso d 1 H
H1B 1.044(3) 0.152(3) 0.843(3) 0.066(8) Uiso d 1 H
H1A 0.932(3) 0.054(4) 0.888(3) 0.070(10) Uiso d 1 H
H21 0.527(3) 0.360(3) 0.475(3) 0.062(8) Uiso d 1 H
H14 0.913(3) 0.663(3) 0.786(2) 0.058(8) Uiso d 1 H
H15 0.882(3) 0.425(3) 0.768(2) 0.052(7) Uiso d 1 H
H26B 0.800(3) 0.031(3) 0.695(2) 0.061(8) Uiso d 1 H
H12 0.533(3) 0.646(3) 0.873(3) 0.065(9) Uiso d 1 H
H2 0.637(3) 0.023(3) 1.069(3) 0.056(8) Uiso d 1 H
H26A 0.864(3) 0.172(3) 0.669(3) 0.063(9) Uiso d 1 H
H22 0.305(3) 0.385(3) 0.428(3) 0.067(8) Uiso d 1 H
H6 0.866(3) 0.593(3) 1.233(3) 0.066(9) Uiso d 1 H
H1C 0.989(3) 0.194(3) 0.973(3) 0.080(10) Uiso d 1 H
H5 0.783(3) 0.454(3) 1.358(3) 0.069(9) Uiso d 1 H
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'
Br Br -0.2901 2.4595 '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_publ_flag
C11 N3 C17 112.9(2) ?
C11 N3 H3 122.2(19) ?
C17 N3 H3 124.8(19) ?
C3 N2 C9 112.5(2) ?
C3 N2 H2 122(2) ?
C9 N2 H2 125(2) ?
C24 C23 C22 121.5(3) ?
C24 C23 Br1 119.0(2) ?
C22 C23 Br1 119.5(2) ?
C1 N1 C2 116.0(2) yes
C1 N1 C26 113.9(2) yes
C2 N1 C26 107.1(2) yes
C8 C7 C6 118.8(3) ?
C8 C7 H7 122.0(15) ?
C6 C7 H7 119.2(16) ?
O2 C11 N3 125.7(2) ?
O2 C11 C10 127.2(2) ?
N3 C11 C10 107.1(2) ?
C7 C8 C9 119.2(2) yes
C7 C8 C2 132.2(2) ?
C9 C8 C2 108.6(2) ?
C12 C17 C16 121.9(2) yes
C12 C17 N3 129.5(2) ?
C16 C17 N3 108.6(2) ?
C15 C16 C17 119.3(2) yes
C15 C16 C10 131.5(2) ?
C17 C16 C10 109.2(2) ?
O1 C3 N2 126.0(2) ?
O1 C3 C2 126.3(2) ?
N2 C3 C2 107.6(2) ?
C21 C22 C23 118.9(3) ?
C21 C22 H22 119.3(18) ?
C23 C22 H22 121.7(18) ?
C16 C10 C11 102.13(17) ?
C16 C10 C2 113.02(18) ?
C11 C10 C2 111.93(18) ?
C16 C10 C18 113.09(18) ?
C11 C10 C18 116.58(19) ?
C2 C10 C18 100.60(17) ?
C4 C9 N2 127.8(3) ?
C4 C9 C8 122.3(3) yes
N2 C9 C8 110.0(2) ?
C24 C25 C20 121.0(3) ?
C24 C25 H25 118.0(16) ?
C20 C25 H25 121.1(16) ?
C22 C21 C20 121.1(3) ?
C22 C21 H21 120.4(18) ?
C20 C21 H21 118.4(18) ?
C5 C6 C7 120.9(3) ?
C5 C6 H6 121.0(18) ?
C7 C6 H6 118.1(18) ?
N1 C2 C8 116.40(19) ?
N1 C2 C10 100.00(17) ?
C8 C2 C10 116.24(18) ?
N1 C2 C3 111.61(18) ?
C8 C2 C3 101.30(18) ?
C10 C2 C3 111.76(19) ?
O3 C19 C20 120.0(2) ?
O3 C19 C18 122.1(2) ?
C20 C19 C18 117.8(2) ?
C25 C20 C21 118.6(2) ?
C25 C20 C19 122.8(2) ?
C21 C20 C19 118.7(2) ?
C14 C15 C16 119.2(2) ?
C14 C15 H15 123.7(16) ?
C16 C15 H15 117.1(16) ?
C19 C18 C26 115.6(2) ?
C19 C18 C10 112.69(19) ?
C26 C18 C10 103.4(2) ?
C19 C18 H18 107.0(14) ?
C26 C18 H18 110.0(14) ?
C10 C18 H18 107.8(14) ?
C4 C5 C6 120.9(3) ?
C4 C5 H5 117.8(18) ?
C6 C5 H5 121.3(19) ?
C23 C24 C25 118.9(3) ?
C23 C24 H24 120.3(19) ?
C25 C24 H24 120.7(19) ?
N1 C26 C18 106.1(2) ?
N1 C26 H26B 111.9(16) ?
C18 C26 H26B 108.1(17) ?
N1 C26 H26A 106.4(19) ?
C18 C26 H26A 112.9(18) ?
H26B C26 H26A 111(2) ?
C9 C4 C5 117.9(3) ?
C9 C4 H4 120.1(17) ?
C5 C4 H4 121.9(17) ?
C13 C12 C17 117.5(3) ?
C13 C12 H12 125(2) ?
C17 C12 H12 117(2) ?
C13 C14 C15 120.6(3) ?
C13 C14 H14 118.3(18) ?
C15 C14 H14 121.1(18) ?
N1 C1 H1B 108.3(17) ?
N1 C1 H1A 113(2) ?
H1B C1 H1A 107(3) ?
N1 C1 H1C 109(2) ?
H1B C1 H1C 112(3) ?
H1A C1 H1C 107(3) ?
C14 C13 C12 121.5(3) ?
C14 C13 H13 119(2) ?
C12 C13 H13 120(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Br1 C23 1.891(3) ?
O2 C11 1.215(3) yes
N3 C11 1.351(3) yes
N3 C17 1.399(3) y
N3 H3 0.80(3) ?
N2 C3 1.346(3) yes
N2 C9 1.390(3) y
N2 H2 0.80(3) ?
C23 C24 1.368(4) ?
C23 C22 1.381(4) ?
N1 C1 1.457(3) y
N1 C2 1.463(3) yes
N1 C26 1.472(3) yes
C7 C8 1.383(4) ?
C7 C6 1.392(4) ?
C7 H7 0.91(3) ?
C11 C10 1.541(3) ?
O3 C19 1.207(3) y
C8 C9 1.391(3) ?
C8 C2 1.514(3) ?
C17 C12 1.382(4) ?
C17 C16 1.386(3) ?
C16 C15 1.382(3) ?
C16 C10 1.505(3) ?
C3 O1 1.215(3) yes
C3 C2 1.564(3) ?
C22 C21 1.373(4) ?
C22 H22 0.96(3) ?
C10 C2 1.557(3) ?
C10 C18 1.558(3) ?
C9 C4 1.378(4) ?
C25 C24 1.381(4) ?
C25 C20 1.386(4) ?
C25 H25 0.93(3) ?
C21 C20 1.386(4) ?
C21 H21 0.93(3) ?
C6 C5 1.380(4) ?
C6 H6 0.94(3) ?
C19 C20 1.493(3) ?
C19 C18 1.516(3) ?
C15 C14 1.375(4) ?
C15 H15 0.93(3) ?
C18 C26 1.534(4) ?
C18 H18 0.92(2) ?
C5 C4 1.379(4) ?
C5 H5 0.95(3) ?
C24 H24 0.95(3) ?
C26 H26B 0.99(3) ?
C26 H26A 0.92(3) ?
C4 H4 0.93(3) ?
C12 C13 1.376(4) ?
C12 H12 0.86(3) ?
C14 C13 1.375(4) ?
C14 H14 0.91(3) ?
C1 H1B 1.01(3) ?
C1 H1A 0.92(3) ?
C1 H1C 0.95(4) ?
C13 H13 0.93(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C15 H15 N1 . 0.93(3) 2.60(3) 3.103(4) 114(2) yes
C18 H18 O1 . 0.92(2) 2.43(2) 2.935(3) 115(2) yes
C26 H26A O3 . 0.92(3) 2.48(3) 2.849(4) 104(2) yes
C7 H7 Cg . 0.91(3) 2.92(2) 3.561(3) 128(2) yes
N2 H2 O2 2_657 0.80(3) 2.11(3) 2.905(3) 174(3) yes
C13 H13 O1 1_565 0.93(3) 2.41(3) 3.212(4) 145(3) yes
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
C17 N3 C11 O2 178.3(2)
C17 N3 C11 C10 -0.2(3)
C6 C7 C8 C9 -0.9(3)
C6 C7 C8 C2 177.4(2)
C11 N3 C17 C12 -178.1(2)
C11 N3 C17 C16 0.6(3)
C12 C17 C16 C15 -1.4(4)
N3 C17 C16 C15 179.8(2)
C12 C17 C16 C10 178.1(2)
N3 C17 C16 C10 -0.7(3)
C9 N2 C3 O1 179.7(2)
C9 N2 C3 C2 2.9(3)
C24 C23 C22 C21 0.1(4)
Br1 C23 C22 C21 -179.9(2)
C15 C16 C10 C11 180.0(2)
C17 C16 C10 C11 0.5(2)
C15 C16 C10 C2 59.6(3)
C17 C16 C10 C2 -119.9(2)
C15 C16 C10 C18 -53.9(3)
C17 C16 C10 C18 126.6(2)
O2 C11 C10 C16 -178.7(2)
N3 C11 C10 C16 -0.2(2)
O2 C11 C10 C2 -57.5(3)
N3 C11 C10 C2 121.0(2)
O2 C11 C10 C18 57.6(3)
N3 C11 C10 C18 -124.0(2)
C3 N2 C9 C4 177.3(3)
C3 N2 C9 C8 -2.8(3)
C7 C8 C9 C4 0.0(4)
C2 C8 C9 C4 -178.7(2)
C7 C8 C9 N2 -179.9(2)
C2 C8 C9 N2 1.4(3)
C23 C22 C21 C20 -1.7(4)
C8 C7 C6 C5 1.1(4)
C1 N1 C2 C8 62.0(3)
C26 N1 C2 C8 -169.5(2)
C1 N1 C2 C10 -171.9(2)
C26 N1 C2 C10 -43.5(2)
C1 N1 C2 C3 -53.5(3)
C26 N1 C2 C3 74.9(2)
C7 C8 C2 N1 60.6(3)
C9 C8 C2 N1 -120.9(2)
C7 C8 C2 C10 -56.8(3)
C9 C8 C2 C10 121.6(2)
C7 C8 C2 C3 -178.2(2)
C9 C8 C2 C3 0.3(2)
C16 C10 C2 N1 -74.5(2)
C11 C10 C2 N1 170.79(18)
C18 C10 C2 N1 46.3(2)
C16 C10 C2 C8 51.6(3)
C11 C10 C2 C8 -63.0(3)
C18 C10 C2 C8 172.5(2)
C16 C10 C2 C3 167.23(18)
C11 C10 C2 C3 52.6(2)
C18 C10 C2 C3 -71.9(2)
O1 C3 C2 N1 -54.1(3)
N2 C3 C2 N1 122.6(2)
O1 C3 C2 C8 -178.7(2)
N2 C3 C2 C8 -1.9(2)
O1 C3 C2 C10 56.9(3)
N2 C3 C2 C10 -126.3(2)
C24 C25 C20 C21 -0.8(4)
C24 C25 C20 C19 179.8(2)
C22 C21 C20 C25 2.0(4)
C22 C21 C20 C19 -178.6(2)
O3 C19 C20 C25 154.0(3)
C18 C19 C20 C25 -27.7(3)
O3 C19 C20 C21 -25.4(4)
C18 C19 C20 C21 152.9(2)
C17 C16 C15 C14 2.1(4)
C10 C16 C15 C14 -177.3(2)
O3 C19 C18 C26 -7.3(4)
C20 C19 C18 C26 174.5(2)
O3 C19 C18 C10 111.4(3)
C20 C19 C18 C10 -66.9(3)
C16 C10 C18 C19 -37.6(3)
C11 C10 C18 C19 80.3(3)
C2 C10 C18 C19 -158.4(2)
C16 C10 C18 C26 88.0(2)
C11 C10 C18 C26 -154.1(2)
C2 C10 C18 C26 -32.8(2)
C7 C6 C5 C4 -0.4(4)
C22 C23 C24 C25 1.1(4)
Br1 C23 C24 C25 -178.9(2)
C20 C25 C24 C23 -0.8(4)
C1 N1 C26 C18 152.5(3)
C2 N1 C26 C18 22.8(3)
C19 C18 C26 N1 131.3(2)
C10 C18 C26 N1 7.7(3)
N2 C9 C4 C5 -179.4(3)
C8 C9 C4 C5 0.7(4)
C6 C5 C4 C9 -0.5(4)
C16 C17 C12 C13 -0.4(4)
N3 C17 C12 C13 178.2(3)
C16 C15 C14 C13 -1.0(4)
C15 C14 C13 C12 -0.7(5)
C17 C12 C13 C14 1.4(4)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139068686
