#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/77/2207737.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_2207737
loop_
_publ_author_name
'K. Palani'
'M. N. Ponnuswamy'
'A. R. Suresh Babu'
'R. Raghunathan'
'K. Ravikumar'
_publ_section_title
4'-(4-Methylbenzoyl)-1'-methyldispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione
_journal_coeditor_code           CI6685
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o52
_journal_page_last               o54
_journal_paper_doi               10.1107/S1600536805039565
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C27 H23 N3 O3'
_chemical_formula_moiety         'C27 H23 N3 O3'
_chemical_formula_sum            'C27 H23 N3 O3'
_chemical_formula_weight         437.48
_chemical_name_systematic
;
4'-(4-Methylbenzoyl)-1'-methyldispiro[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                105.047(2)
_cell_angle_beta                 94.850(2)
_cell_angle_gamma                100.087(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6158(10)
_cell_length_b                   10.3812(11)
_cell_length_c                   11.7099(12)
_cell_measurement_reflns_used    4387
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.50
_cell_volume                     1101.0(2)
_computing_cell_refinement       SAINT
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_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 0.987
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type
;
Bruker SMART 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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7012
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4904
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0507
_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)+(0.0665P)²+0.1767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                3781
_reflns_number_total             4904
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6685.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               2207737
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_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
N1 0.63714(16) 0.30668(15) 0.15789(13) 0.0525(4) Uani d . 1 N
N2 0.83133(18) 0.41969(17) -0.04095(14) 0.0583(4) Uani d . 1 N
N3 1.03679(16) 0.13138(15) 0.13756(12) 0.0487(3) Uani d . 1 N
O1 0.86853(17) 0.54478(13) 0.15471(12) 0.0702(4) Uani d . 1 O
O2 1.09286(13) 0.35499(13) 0.13967(11) 0.0584(3) Uani d . 1 O
O3 0.78470(16) 0.27544(17) 0.47132(13) 0.0776(4) Uani d . 1 O
C1 0.5279(3) 0.3641(3) 0.1064(2) 0.0726(6) Uani d . 1 C
C2 0.76198(18) 0.29728(16) 0.09513(14) 0.0446(4) Uani d . 1 C
C3 0.83034(19) 0.43747(17) 0.07745(16) 0.0516(4) Uani d . 1 C
C4 0.7751(2) 0.2300(2) -0.22793(17) 0.0637(5) Uani d . 1 C
C5 0.7237(2) 0.0922(3) -0.27417(18) 0.0678(6) Uani d . 1 C
C6 0.6779(2) 0.0114(2) -0.20231(18) 0.0609(5) Uani d . 1 C
C7 0.68232(18) 0.06838(18) -0.07988(16) 0.0508(4) Uani d . 1 C
C8 0.73532(17) 0.20610(16) -0.03155(14) 0.0443(4) Uani d . 1 C
C9 0.78111(18) 0.28463(18) -0.10642(15) 0.0499(4) Uani d . 1 C
C10 0.85935(17) 0.25423(15) 0.18593(13) 0.0425(4) Uani d . 1 C
C11 1.01119(18) 0.25840(17) 0.15321(13) 0.0443(4) Uani d . 1 C
C12 0.9085(2) -0.09739(18) 0.14537(16) 0.0557(5) Uani d . 1 C
C13 0.7809(2) -0.16624(19) 0.16469(17) 0.0608(5) Uani d . 1 C
C14 0.6713(2) -0.1001(2) 0.19527(17) 0.0598(5) Uani d . 1 C
C15 0.6871(2) 0.03768(19) 0.20708(16) 0.0521(4) Uani d . 1 C
C16 0.81234(17) 0.10775(15) 0.18481(13) 0.0418(3) Uani d . 1 C
C17 0.92243(18) 0.04011(16) 0.15553(13) 0.0432(4) Uani d . 1 C
C18 0.8434(2) 0.35721(18) 0.30517(14) 0.0509(4) Uani d . 1 C
C19 0.8766(2) 0.30602(18) 0.41338(15) 0.0538(4) Uani d . 1 C
C20 1.0254(2) 0.29234(17) 0.44430(13) 0.0505(4) Uani d . 1 C
C21 1.0476(2) 0.1983(2) 0.50597(17) 0.0614(5) Uani d . 1 C
C23 1.3006(2) 0.2573(2) 0.50769(17) 0.0689(6) Uani d . 1 C
C22 1.1831(2) 0.1810(2) 0.53583(18) 0.0687(6) Uani d . 1 C
C24 1.2784(3) 0.3513(2) 0.44792(18) 0.0700(6) Uani d . 1 C
C25 1.1430(2) 0.3690(2) 0.41587(16) 0.0602(5) Uani d . 1 C
C26 0.6905(2) 0.3781(2) 0.28429(17) 0.0645(5) Uani d . 1 C
C27 1.4487(3) 0.2386(4) 0.5434(3) 0.1076(10) Uani d . 1 C
H27A 1.5101 0.2613 0.4880 0.161 Uiso calc R 1 H
H27B 1.4451 0.1454 0.5429 0.161 Uiso calc R 1 H
H27C 1.4850 0.2971 0.6222 0.161 Uiso calc R 1 H
H1A 0.558(3) 0.466(3) 0.115(2) 0.101(8) Uiso d . 1 H
H1B 0.496(3) 0.314(2) 0.022(2) 0.092(8) Uiso d . 1 H
H1C 0.444(3) 0.355(2) 0.148(2) 0.093(8) Uiso d . 1 H
H2 0.867(2) 0.489(2) -0.069(2) 0.075(6) Uiso d . 1 H
H3 1.118(2) 0.1129(19) 0.1193(17) 0.060(5) Uiso d . 1 H
H4 0.805(2) 0.288(2) -0.276(2) 0.079(7) Uiso d . 1 H
H5 0.719(2) 0.051(2) -0.357(2) 0.076(6) Uiso d . 1 H
H6 0.640(2) -0.088(2) -0.2360(18) 0.065(6) Uiso d . 1 H
H7 0.6460(19) 0.0110(19) -0.0310(17) 0.057(5) Uiso d . 1 H
H12 0.987(2) -0.1400(19) 0.1281(16) 0.059(5) Uiso d . 1 H
H13 0.767(2) -0.263(2) 0.1568(18) 0.068(6) Uiso d . 1 H
H14 0.581(2) -0.153(2) 0.2070(18) 0.069(6) Uiso d . 1 H
H15 0.612(2) 0.082(2) 0.2263(17) 0.064(6) Uiso d . 1 H
H18 0.9127(19) 0.4418(19) 0.3147(15) 0.050(5) Uiso d . 1 H
H21 0.966(2) 0.150(2) 0.5313(18) 0.065(6) Uiso d . 1 H
H22 1.195(2) 0.116(2) 0.577(2) 0.078(6) Uiso d . 1 H
H24 1.355(2) 0.404(2) 0.426(2) 0.079(7) Uiso d . 1 H
H25 1.133(2) 0.438(2) 0.3731(18) 0.063(5) Uiso d . 1 H
H26A 0.690(2) 0.479(2) 0.3017(19) 0.077(6) Uiso d . 1 H
H26B 0.625(2) 0.338(2) 0.3344(19) 0.069(6) 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'
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
C1 N1 C2 115.72(15) y
C1 N1 C26 113.69(15) yes
C2 N1 C26 106.97(14) yes
C3 N2 C9 112.11(15) ?
C3 N2 H2 121.0(14) ?
C9 N2 H2 126.7(14) ?
C11 N3 C17 112.96(14) ?
C11 N3 H3 121.2(13) ?
C17 N3 H3 125.8(13) ?
N1 C1 H1A 113.9(15) ?
N1 C1 H1B 111.0(14) ?
H1A C1 H1B 110(2) ?
N1 C1 H1C 109.5(15) ?
H1A C1 H1C 105(2) ?
H1B C1 H1C 107(2) ?
N1 C2 C8 116.46(14) ?
N1 C2 C10 99.79(12) y
C8 C2 C10 115.90(12) yes
N1 C2 C3 111.53(12) ?
C8 C2 C3 101.67(13) ?
C10 C2 C3 111.97(13) ?
O1 C3 N2 125.84(17) ?
O1 C3 C2 126.54(16) ?
N2 C3 C2 107.50(15) ?
C5 C4 C9 117.5(2) ?
C5 C4 H4 122.7(14) ?
C9 C4 H4 119.8(14) ?
C4 C5 C6 121.42(19) ?
C4 C5 H5 119.8(13) ?
C6 C5 H5 118.8(13) ?
C5 C6 C7 120.44(19) ?
C5 C6 H6 121.2(12) ?
C7 C6 H6 118.3(12) ?
C8 C7 C6 119.00(18) ?
C8 C7 H7 121.4(11) ?
C6 C7 H7 119.5(11) ?
C7 C8 C9 119.10(16) ?
C7 C8 C2 132.56(15) ?
C9 C8 C2 108.29(14) ?
C4 C9 N2 127.20(17) ?
C4 C9 C8 122.51(18) ?
N2 C9 C8 110.29(15) ?
C16 C10 C11 102.30(12) ?
C16 C10 C2 112.98(13) ?
C11 C10 C2 111.81(12) ?
C16 C10 C18 113.14(13) ?
C11 C10 C18 116.54(14) y
C2 C10 C18 100.56(12) y
O2 C11 N3 125.46(16) ?
O2 C11 C10 127.45(15) ?
N3 C11 C10 107.05(14) ?
C13 C12 C17 117.79(17) ?
C13 C12 H12 122.5(11) ?
C17 C12 H12 119.7(11) ?
C12 C13 C14 121.24(17) ?
C12 C13 H13 120.0(12) ?
C14 C13 H13 118.8(12) ?
C13 C14 C15 120.50(19) ?
C13 C14 H14 118.9(12) ?
C15 C14 H14 120.5(12) ?
C16 C15 C14 119.23(17) ?
C16 C15 H15 120.1(12) ?
C14 C15 H15 120.6(12) ?
C15 C16 C17 119.55(15) ?
C15 C16 C10 131.74(14) ?
C17 C16 C10 108.71(14) ?
C12 C17 C16 121.64(17) ?
C12 C17 N3 129.36(15) ?
C16 C17 N3 108.98(14) ?
C19 C18 C26 114.89(16) ?
C19 C18 C10 112.14(13) ?
C26 C18 C10 103.46(14) ?
C19 C18 H18 107.4(10) ?
C26 C18 H18 111.0(10) ?
C10 C18 H18 107.7(10) ?
O3 C19 C20 120.72(16) ?
O3 C19 C18 121.26(17) ?
C20 C19 C18 118.01(15) ?
C25 C20 C21 118.26(18) ?
C25 C20 C19 123.46(16) ?
C21 C20 C19 118.28(17) ?
C22 C21 C20 120.5(2) ?
C22 C21 H21 121.2(12) ?
C20 C21 H21 118.2(12) ?
C24 C23 C22 117.9(2) ?
C24 C23 C27 121.6(2) ?
C22 C23 C27 120.5(2) ?
C21 C22 C23 121.4(2) ?
C21 C22 H22 118.6(14) ?
C23 C22 H22 120.0(14) ?
C23 C24 C25 121.6(2) ?
C23 C24 H24 120.3(14) ?
C25 C24 H24 118.2(14) ?
C24 C25 C20 120.35(19) ?
C24 C25 H25 118.1(12) ?
C20 C25 H25 121.5(12) ?
N1 C26 C18 106.12(13) ?
N1 C26 H26A 110.8(12) ?
C18 C26 H26A 110.1(13) ?
N1 C26 H26B 107.8(12) ?
C18 C26 H26B 113.4(12) ?
H26A C26 H26B 108.6(17) ?
C23 C27 H27A 109.5 ?
C23 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C23 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C1 1.456(2) y
N1 C2 1.464(2) yes
N1 C26 1.474(2) yes
N2 C3 1.351(2) yes
N2 C9 1.389(2) y
N2 H2 0.89(2) ?
N3 C11 1.352(2) yes
N3 C17 1.389(2) y
N3 H3 0.87(2) ?
O1 C3 1.213(2) yes
O2 C11 1.215(2) yes
O3 C19 1.207(2) y
C1 H1A 1.02(3) ?
C1 H1B 0.99(3) ?
C1 H1C 0.98(3) ?
C2 C8 1.511(2) ?
C2 C10 1.559(2) y
C2 C3 1.561(2) ?
C4 C5 1.374(3) ?
C4 C9 1.380(3) ?
C4 H4 0.95(2) ?
C5 C6 1.381(3) ?
C5 H5 0.95(2) ?
C6 C7 1.395(3) ?
C6 H6 0.99(2) ?
C7 C8 1.378(2) ?
C7 H7 0.971(19) ?
C8 C9 1.392(2) ?
C10 C16 1.505(2) ?
C10 C11 1.537(2) ?
C10 C18 1.560(2) y
C12 C13 1.375(3) ?
C12 C17 1.383(2) ?
C12 H12 0.95(2) ?
C13 C14 1.378(3) ?
C13 H13 0.96(2) ?
C14 C15 1.381(3) ?
C14 H14 0.98(2) ?
C15 C16 1.375(2) ?
C15 H15 0.93(2) ?
C16 C17 1.389(2) ?
C18 C19 1.527(2) ?
C18 C26 1.531(3) y
C18 H18 0.979(18) ?
C19 C20 1.487(3) ?
C20 C25 1.381(3) ?
C20 C21 1.390(2) ?
C21 C22 1.375(3) ?
C21 H21 0.96(2) ?
C23 C24 1.375(3) ?
C23 C22 1.378(3) ?
C23 C27 1.509(3) ?
C22 H22 0.94(2) ?
C24 C25 1.381(3) ?
C24 H24 0.93(2) ?
C25 H25 0.98(2) ?
C26 H26A 1.02(2) ?
C26 H26B 1.01(2) ?
C27 H27A 0.96 ?
C27 H27B 0.96 ?
C27 H27C 0.96 ?
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
N2 H2 O2 2_765 0.90(2) 1.99(2) 2.879(2) 170(2) yes
C13 H13 O1 1_545 0.97(2) 2.37(2) 3.232(2) 149(2) yes
C7 H7 Cg1 . 0.98(2) 2.87(2) 3.551(3) 128.0(10) yes
C12 H12 Cg2 2_755 0.95(2) 2.75(2) 3.613(3) 153.0(10) 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
C1 N1 C2 C8 -62.7(2)
C26 N1 C2 C8 169.46(14)
C1 N1 C2 C10 171.77(17)
C26 N1 C2 C10 43.95(16)
C1 N1 C2 C3 53.3(2)
C26 N1 C2 C3 -74.49(16)
C9 N2 C3 O1 179.98(17)
C9 N2 C3 C2 -3.7(2)
N1 C2 C3 O1 53.9(2)
C8 C2 C3 O1 178.67(17)
C10 C2 C3 O1 -57.0(2)
N1 C2 C3 N2 -122.37(15)
C8 C2 C3 N2 2.42(16)
C10 C2 C3 N2 126.77(14)
C9 C4 C5 C6 0.9(3)
C4 C5 C6 C7 0.2(3)
C5 C6 C7 C8 -1.1(3)
C6 C7 C8 C9 0.8(2)
C6 C7 C8 C2 -176.32(16)
N1 C2 C8 C7 -61.6(2)
C10 C2 C8 C7 55.4(2)
C3 C2 C8 C7 177.03(17)
N1 C2 C8 C9 121.07(15)
C10 C2 C8 C9 -122.01(15)
C3 C2 C8 C9 -0.35(16)
C5 C4 C9 N2 178.71(17)
C5 C4 C9 C8 -1.1(3)
C3 N2 C9 C4 -176.23(17)
C3 N2 C9 C8 3.6(2)
C7 C8 C9 C4 0.3(3)
C2 C8 C9 C4 178.06(16)
C7 C8 C9 N2 -179.60(14)
C2 C8 C9 N2 -1.81(18)
N1 C2 C10 C16 74.44(15)
C8 C2 C10 C16 -51.46(18)
C3 C2 C10 C16 -167.45(13)
N1 C2 C10 C11 -170.79(12)
C8 C2 C10 C11 63.31(18)
C3 C2 C10 C11 -52.68(17)
N1 C2 C10 C18 -46.44(15)
C8 C2 C10 C18 -172.34(14)
C3 C2 C10 C18 71.66(16)
C17 N3 C11 O2 -178.02(15)
C17 N3 C11 C10 -0.16(17)
C16 C10 C11 O2 177.92(15)
C2 C10 C11 O2 56.7(2)
C18 C10 C11 O2 -58.1(2)
C16 C10 C11 N3 0.12(15)
C2 C10 C11 N3 -121.06(14)
C18 C10 C11 N3 124.07(14)
C17 C12 C13 C14 -1.1(3)
C12 C13 C14 C15 0.1(3)
C13 C14 C15 C16 1.8(3)
C14 C15 C16 C17 -2.5(2)
C14 C15 C16 C10 177.72(16)
C11 C10 C16 C15 179.72(17)
C2 C10 C16 C15 -59.9(2)
C18 C10 C16 C15 53.5(2)
C11 C10 C16 C17 -0.04(16)
C2 C10 C16 C17 120.32(14)
C18 C10 C16 C17 -126.23(15)
C13 C12 C17 C16 0.3(3)
C13 C12 C17 N3 -178.00(16)
C15 C16 C17 C12 1.5(2)
C10 C16 C17 C12 -178.68(14)
C15 C16 C17 N3 -179.85(14)
C10 C16 C17 N3 -0.05(17)
C11 N3 C17 C12 178.62(16)
C11 N3 C17 C16 0.14(18)
C16 C10 C18 C19 36.3(2)
C11 C10 C18 C19 -81.93(19)
C2 C10 C18 C19 157.04(15)
C16 C10 C18 C26 -88.11(17)
C11 C10 C18 C26 153.69(15)
C2 C10 C18 C26 32.66(17)
C26 C18 C19 O3 5.2(3)
C10 C18 C19 O3 -112.55(19)
C26 C18 C19 C20 -175.90(16)
C10 C18 C19 C20 66.3(2)
O3 C19 C20 C25 -154.50(18)
C18 C19 C20 C25 26.6(2)
O3 C19 C20 C21 25.0(3)
C18 C19 C20 C21 -153.94(17)
C25 C20 C21 C22 -1.0(3)
C19 C20 C21 C22 179.49(18)
C20 C21 C22 C23 1.1(3)
C24 C23 C22 C21 -0.3(3)
C27 C23 C22 C21 178.8(2)
C22 C23 C24 C25 -0.5(3)
C27 C23 C24 C25 -179.6(2)
C23 C24 C25 C20 0.5(3)
C21 C20 C25 C24 0.2(3)
C19 C20 C25 C24 179.69(17)
C1 N1 C26 C18 -152.49(19)
C2 N1 C26 C18 -23.5(2)
C19 C18 C26 N1 -129.77(17)
C10 C18 C26 N1 -7.2(2)
