#------------------------------------------------------------------------------
#$Date: 2017-10-13 09:09:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/23/2202364.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_2202364
loop_
_publ_author_name
P.R.Seshadri
S.Selvanayagam
D.Velmurugan
' K.Ravikumar'
A.R.Sureshbabu
' R.Raghunathan'
_publ_section_title
Spiro-[2-3']oxindole-spiro-[3-3'']oxindole-4[p-methylbenzyl]pyrrolidizine
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1458
_journal_page_last               o1460
_journal_paper_doi               10.1107/S1600536803019226
_journal_volume                  59
_journal_year                    2003
_chemical_formula_moiety         'C29 H25 N3 O3'
_chemical_formula_sum            'C29 H25 N3 O3'
_chemical_formula_weight         463.52
_chemical_name_systematic
;
Spiro- [2 -3'] oxindole - spiro -[3- 3"] oxindole - 4[p-methyl benzydy]
pyrolidizine.
;
_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                99.7350(10)
_cell_angle_beta                 96.4800(10)
_cell_angle_gamma                98.8920(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7632(6)
_cell_length_b                   10.3841(7)
_cell_length_c                   11.6874(8)
_cell_measurement_reflns_used    3128
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.58
_cell_volume                     1141.98(13)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001) '
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
ORTEP3 (Farrugia, 1997) and PLATON (Spek, 1990)
;
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device       'Bruker Smart APEX'
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       'ω 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  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7283
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.79
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.9825
_exptl_absorpt_correction_T_min  0.9655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.1060P)²+0.1974P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1549
_reflns_number_gt                4178
_reflns_number_total             5057
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6334.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               2202364
_cod_database_fobs_code          2202364
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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
N1 0.47061(14) 0.87861(14) 0.36014(13) 0.0434(3) Uani d . 1 . . N
H1 0.3906 0.8975 0.3740 0.052 Uiso calc R 1 . . H
C2 0.50070(15) 0.75446(15) 0.34976(12) 0.0349(3) Uani d . 1 . . C
O3 0.42241(12) 0.65750(12) 0.36220(11) 0.0482(3) Uani d . 1 . . O
C4 0.65378(14) 0.76396(14) 0.32510(12) 0.0301(3) Uani d . 1 . . C
C5 0.69521(15) 0.90992(14) 0.32391(12) 0.0325(3) Uani d . 1 . . C
C6 0.58304(16) 0.97256(15) 0.34598(13) 0.0379(3) Uani d . 1 . . C
C7 0.5914(2) 1.10778(17) 0.35435(17) 0.0507(4) Uani d . 1 . . C
H7 0.5153 1.1485 0.3695 0.061 Uiso calc R 1 . . H
C8 0.7168(2) 1.18050(17) 0.33946(17) 0.0538(5) Uani d . 1 . . C
H8 0.7255 1.2718 0.3447 0.065 Uiso calc R 1 . . H
C9 0.8293(2) 1.11983(17) 0.31696(16) 0.0485(4) Uani d . 1 . . C
H9 0.9130 1.1706 0.3075 0.058 Uiso calc R 1 . . H
C10 0.81922(17) 0.98411(16) 0.30831(14) 0.0402(3) Uani d . 1 . . C
H10 0.8951 0.9434 0.2922 0.048 Uiso calc R 1 . . H
C11 0.68194(15) 0.67199(14) 0.21279(12) 0.0335(3) Uani d . 1 . . C
H11 0.6300 0.5822 0.2084 0.040 Uiso calc R 1 . . H
C12 0.64155(17) 0.71810(17) 0.09900(13) 0.0407(4) Uani d . 1 . . C
O13 0.72920(14) 0.75169(18) 0.03922(12) 0.0706(5) Uani d . 1 . . O
C14 0.49214(16) 0.72518(16) 0.06388(13) 0.0397(4) Uani d . 1 . . C
C15 0.38187(19) 0.64363(19) 0.09421(15) 0.0501(4) Uani d . 1 . . C
H15 0.3996 0.5775 0.1355 0.060 Uiso calc R 1 . . H
C16 0.24597(19) 0.6595(2) 0.06375(16) 0.0580(5) Uani d . 1 . . C
H16 0.1730 0.6028 0.0839 0.070 Uiso calc R 1 . . H
C17 0.21551(19) 0.7578(2) 0.00391(15) 0.0545(5) Uani d . 1 . . C
C18 0.3256(2) 0.8371(2) -0.02897(17) 0.0560(5) Uani d . 1 . . C
H18 0.3075 0.9024 -0.0711 0.067 Uiso calc R 1 . . H
C19 0.46184(19) 0.82088(19) -0.00046(16) 0.0493(4) Uani d . 1 . . C
H19 0.5343 0.8745 -0.0245 0.059 Uiso calc R 1 . . H
C20 0.74599(14) 0.71611(14) 0.42183(12) 0.0312(3) Uani d . 1 . . C
C21 0.67600(16) 0.57623(15) 0.44078(14) 0.0368(3) Uani d . 1 . . C
O22 0.64199(14) 0.47576(11) 0.36676(11) 0.0489(3) Uani d . 1 . . O
N23 0.66531(15) 0.58586(14) 0.55606(12) 0.0438(3) Uani d . 1 . . N
H23 0.6321 0.5203 0.5869 0.053 Uiso calc R 1 . . H
C24 0.71408(16) 0.71406(17) 0.61920(13) 0.0396(3) Uani d . 1 . . C
C25 0.71806(19) 0.7587(2) 0.73810(15) 0.0530(5) Uani d . 1 . . C
H25 0.6866 0.7016 0.7866 0.064 Uiso calc R 1 . . H
C26 0.7705(2) 0.8913(2) 0.78193(15) 0.0575(5) Uani d . 1 . . C
H26 0.7736 0.9244 0.8614 0.069 Uiso calc R 1 . . H
C27 0.81832(18) 0.97537(19) 0.71017(16) 0.0506(4) Uani d . 1 . . C
H27 0.8519 1.0646 0.7417 0.061 Uiso calc R 1 . . H
C28 0.81707(16) 0.92871(16) 0.59059(14) 0.0400(4) Uani d . 1 . . C
H28 0.8516 0.9854 0.5428 0.048 Uiso calc R 1 . . H
C29 0.76368(14) 0.79693(15) 0.54495(12) 0.0333(3) Uani d . 1 . . C
N30 0.87489(13) 0.71261(12) 0.37002(10) 0.0343(3) Uani d . 1 . . N
C31 0.97147(19) 0.62994(19) 0.41402(15) 0.0486(4) Uani d . 1 . . C
H31A 0.9241 0.5678 0.4563 0.058 Uiso calc R 1 . . H
H31B 1.0514 0.6849 0.4659 0.058 Uiso calc R 1 . . H
C32 1.0173(2) 0.5570(2) 0.30558(17) 0.0612(5) Uani d . 1 . . C
H32A 1.0382 0.4715 0.3174 0.073 Uiso calc R 1 . . H
H32B 1.0995 0.6085 0.2852 0.073 Uiso calc R 1 . . H
C33 0.89170(19) 0.54006(18) 0.21023(15) 0.0488(4) Uani d . 1 . . C
H33A 0.8210 0.4649 0.2142 0.059 Uiso calc R 1 . . H
H33B 0.9198 0.5287 0.1327 0.059 Uiso calc R 1 . . H
C34 0.83894(16) 0.67102(15) 0.24069(12) 0.0356(3) Uani d . 1 . . C
H34 0.8907 0.7372 0.2035 0.043 Uiso calc R 1 . . H
C35 0.0676(2) 0.7769(3) -0.0270(2) 0.0804(7) Uani d . 1 . . C
H35A 0.0049 0.7134 0.0020 0.121 Uiso calc R 1 . . H
H35B 0.0450 0.7644 -0.1107 0.121 Uiso calc R 1 . . H
H35C 0.0581 0.8650 0.0079 0.121 Uiso calc R 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
C2 N1 C6 112.90(10) yes
C2 N1 H1 123.5 ?
C6 N1 H1 123.5 ?
O3 C2 N1 125.32(14) ?
O3 C2 C4 127.71(14) ?
N1 C2 C4 106.93(12) ?
C5 C4 C2 102.16(11) ?
C5 C4 C20 113.14(11) ?
C2 C4 C20 111.08(11) ?
C5 C4 C11 113.13(11) ?
C2 C4 C11 117.51(12) ?
C20 C4 C11 100.32(11) ?
C10 C5 C6 119.31(14) ?
C10 C5 C4 131.77(13) ?
C6 C5 C4 108.90(13) ?
C7 C6 C5 122.10(10) yes
C7 C6 N1 128.75(15) ?
C5 C6 N1 109.10(13) ?
C6 C7 C8 117.7(2) yes
C6 C7 H7 121.2 ?
C8 C7 H7 121.2 ?
C9 C8 C7 120.98(16) ?
C9 C8 H8 119.5 ?
C7 C8 H8 119.5 ?
C8 C9 C10 120.7(2) yes
C8 C9 H9 119.6 ?
C10 C9 H9 119.6 ?
C5 C10 C9 119.2(2) yes
C5 C10 H10 120.4 ?
C9 C10 H10 120.4 ?
C12 C11 C34 113.84(12) ?
C12 C11 C4 114.23(12) ?
C34 C11 C4 101.96(11) ?
C12 C11 H11 108.8 ?
C34 C11 H11 108.8 ?
C4 C11 H11 108.8 ?
O13 C12 C14 120.34(14) ?
O13 C12 C11 121.04(14) ?
C14 C12 C11 118.60(13) ?
C15 C14 C19 118.27(16) ?
C15 C14 C12 123.37(15) ?
C19 C14 C12 118.34(15) ?
C14 C15 C16 120.50(17) ?
C14 C15 H15 119.7 ?
C16 C15 H15 119.7 ?
C17 C16 C15 121.50(18) ?
C17 C16 H16 119.3 ?
C15 C16 H16 119.3 ?
C16 C17 C18 117.92(17) ?
C16 C17 C35 121.5(2) ?
C18 C17 C35 120.6(2) ?
C19 C18 C17 121.09(18) ?
C19 C18 H18 119.5 ?
C17 C18 H18 119.5 ?
C18 C19 C14 120.65(17) ?
C18 C19 H19 119.7 ?
C14 C19 H19 119.7 ?
N30 C20 C29 115.28(12) ?
N30 C20 C4 100.76(11) ?
C29 C20 C4 116.48(11) ?
N30 C20 C21 112.81(12) ?
C29 C20 C21 101.21(11) ?
C4 C20 C21 110.76(11) ?
O22 C21 N23 125.63(14) ?
O22 C21 C20 126.60(14) ?
N23 C21 C20 107.72(13) ?
C21 N23 C24 112.3(2) yes
C21 N23 H23 123.9 ?
C24 N23 H23 123.9 ?
C25 C24 C29 122.4(2) yes
C25 C24 N23 127.46(16) ?
C29 C24 N23 110.10(13) ?
C26 C25 C24 117.4(2) yes
C26 C25 H25 121.3 ?
C24 C25 H25 121.3 ?
C27 C26 C25 121.2(2) ?
C27 C26 H26 119.4 ?
C25 C26 H26 119.4 ?
C26 C27 C28 121.0(2) yes
C26 C27 H27 119.5 ?
C28 C27 H27 119.5 ?
C29 C28 C27 118.7(2) yes
C29 C28 H28 120.7 ?
C27 C28 H28 120.7 ?
C28 C29 C24 119.28(14) ?
C28 C29 C20 132.05(14) ?
C24 C29 C20 108.67(13) ?
C20 N30 C31 117.20(10) yes
C20 N30 C34 109.10(10) yes
C31 N30 C34 109.20(10) yes
N30 C31 C32 105.06(14) ?
N30 C31 H31A 110.7 ?
C32 C31 H31A 110.7 ?
N30 C31 H31B 110.7 ?
C32 C31 H31B 110.7 ?
H31A C31 H31B 108.8 ?
C31 C32 C33 104.19(14) ?
C31 C32 H32A 110.9 ?
C33 C32 H32A 110.9 ?
C31 C32 H32B 110.9 ?
C33 C32 H32B 110.9 ?
H32A C32 H32B 108.9 ?
C32 C33 C34 102.12(14) ?
C32 C33 H33A 111.3 ?
C34 C33 H33A 111.3 ?
C32 C33 H33B 111.3 ?
C34 C33 H33B 111.3 ?
H33A C33 H33B 109.2 ?
N30 C34 C33 105.47(12) ?
N30 C34 C11 106.04(11) ?
C33 C34 C11 118.77(13) ?
N30 C34 H34 108.7 ?
C33 C34 H34 108.7 ?
C11 C34 H34 108.7 ?
C17 C35 H35A 109.5 ?
C17 C35 H35B 109.5 ?
H35A C35 H35B 109.5 ?
C17 C35 H35C 109.5 ?
H35A C35 H35C 109.5 ?
H35B C35 H35C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C2 . 1.355(2) yes
N1 C6 . 1.396(2) yes
N1 H1 . 0.8600 ?
C2 O3 . 1.206(2) yes
C2 C4 . 1.5452(19) ?
C4 C5 . 1.5100(19) ?
C4 C20 . 1.5601(19) ?
C4 C11 . 1.5650(19) ?
C5 C10 . 1.379(2) ?
C5 C6 . 1.384(2) ?
C6 C7 . 1.380(2) ?
C7 C8 . 1.381(3) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.376(3) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.383(2) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.519(2) ?
C11 C34 . 1.533(2) ?
C11 H11 . 0.9800 ?
C12 O13 . 1.211(2) yes
C12 C14 . 1.487(2) ?
C14 C15 . 1.381(2) ?
C14 C19 . 1.391(2) ?
C15 C16 . 1.377(3) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.380(3) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.381(3) ?
C17 C35 . 1.501(3) ?
C18 C19 . 1.377(3) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C20 N30 . 1.460(2) yes
C20 C29 . 1.5151(19) ?
C20 C21 . 1.569(2) ?
C21 O22 . 1.213(2) yes
C21 N23 . 1.351(2) yes
N23 C24 . 1.391(2) yes
N23 H23 . 0.8600 ?
C24 C25 . 1.383(2) ?
C24 C29 . 1.395(2) ?
C25 C26 . 1.380(3) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.376(3) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.398(2) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.378(2) ?
C28 H28 . 0.9300 ?
N30 C31 . 1.477(2) yes
N30 C34 . 1.486(2) yes
C31 C32 . 1.513(3) ?
C31 H31A . 0.9700 ?
C31 H31B . 0.9700 ?
C32 C33 . 1.528(3) ?
C32 H32A . 0.9700 ?
C32 H32B . 0.9700 ?
C33 C34 . 1.528(2) ?
C33 H33A . 0.9700 ?
C33 H33B . 0.9700 ?
C34 H34 . 0.9800 ?
C35 H35A . 0.9600 ?
C35 H35B . 0.9600 ?
C35 H35C . 0.9600 ?
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
C11 H11 O22 . 0.98 2.31 2.949(2) 122 yes
C34 H34 O13 . 0.98 2.38 2.787(2) 104 yes
N23 H23 O3 2_666 0.86 2.05 2.892(2) 168 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
_geom_torsion_publ_flag
C6 N1 C2 O3 177.46(15) ?
C6 N1 C2 C4 -0.07(17) ?
O3 C2 C4 C5 -177.79(15) ?
N1 C2 C4 C5 -0.35(14) ?
O3 C2 C4 C20 -56.87(19) ?
N1 C2 C4 C20 120.57(13) ?
O3 C2 C4 C11 57.8(2) ?
N1 C2 C4 C11 -124.76(13) ?
C2 C4 C5 C10 178.87(16) ?
C20 C4 C5 C10 59.4(2) ?
C11 C4 C5 C10 -53.8(2) ?
C2 C4 C5 C6 0.65(15) ?
C20 C4 C5 C6 -118.84(13) ?
C11 C4 C5 C6 127.94(13) ?
C10 C5 C6 C7 -0.8(2) ?
C4 C5 C6 C7 177.71(15) ?
C10 C5 C6 N1 -179.21(14) ?
C4 C5 C6 N1 -0.73(17) ?
C2 N1 C6 C7 -177.79(16) ?
C2 N1 C6 C5 0.51(19) ?
C5 C6 C7 C8 0.2(3) ?
N1 C6 C7 C8 178.33(16) ?
C6 C7 C8 C9 0.1(3) ?
C7 C8 C9 C10 0.2(3) ?
C6 C5 C10 C9 1.0(2) ?
C4 C5 C10 C9 -177.05(15) ?
C8 C9 C10 C5 -0.8(3) ?
C5 C4 C11 C12 -42.48(17) ?
C2 C4 C11 C12 76.25(16) ?
C20 C4 C11 C12 -163.28(12) ?
C5 C4 C11 C34 80.77(14) ?
C2 C4 C11 C34 -160.50(12) ?
C20 C4 C11 C34 -40.03(13) ?
C34 C11 C12 O13 -0.8(2) ?
C4 C11 C12 O13 115.72(18) ?
C34 C11 C12 C14 -179.03(13) ?
C4 C11 C12 C14 -62.5(2) yes
O13 C12 C14 C15 152.49(19) ?
C11 C12 C14 C15 -29.3(2) ?
O13 C12 C14 C19 -29.1(2) ?
C11 C12 C14 C19 149.12(16) ?
C19 C14 C15 C16 -1.6(3) ?
C12 C14 C15 C16 176.82(16) ?
C14 C15 C16 C17 -0.9(3) ?
C15 C16 C17 C18 2.5(3) ?
C15 C16 C17 C35 -178.68(18) ?
C16 C17 C18 C19 -1.6(3) ?
C35 C17 C18 C19 179.62(19) ?
C17 C18 C19 C14 -0.9(3) ?
C15 C14 C19 C18 2.5(3) ?
C12 C14 C19 C18 -175.97(16) ?
C5 C4 C20 N30 -74.97(13) ?
C2 C4 C20 N30 170.81(11) ?
C11 C4 C20 N30 45.82(12) ?
C5 C4 C20 C29 50.51(16) ?
C2 C4 C20 C29 -63.71(16) ?
C11 C4 C20 C29 171.30(11) ?
C5 C4 C20 C21 165.42(12) ?
C2 C4 C20 C21 51.20(15) ?
C11 C4 C20 C21 -73.79(13) ?
N30 C20 C21 O22 -55.5(2) ?
C29 C20 C21 O22 -179.25(15) ?
C4 C20 C21 O22 56.61(19) ?
N30 C20 C21 N23 122.02(13) ?
C29 C20 C21 N23 -1.74(15) ?
C4 C20 C21 N23 -125.89(13) ?
O22 C21 N23 C24 179.44(15) ?
C20 C21 N23 C24 1.91(17) ?
C21 N23 C24 C25 179.80(15) ?
C21 N23 C24 C29 -1.27(18) ?
C29 C24 C25 C26 1.6(3) ?
N23 C24 C25 C26 -179.63(16) ?
C24 C25 C26 C27 -0.6(3) ?
C25 C26 C27 C28 -0.9(3) ?
C26 C27 C28 C29 1.6(2) ?
C27 C28 C29 C24 -0.7(2) ?
C27 C28 C29 C20 179.44(14) ?
C25 C24 C29 C28 -0.9(2) ?
N23 C24 C29 C28 -179.90(13) ?
C25 C24 C29 C20 179.00(14) ?
N23 C24 C29 C20 0.01(16) ?
N30 C20 C29 C28 58.9(2) ?
C4 C20 C29 C28 -58.9(2) ?
C21 C20 C29 C28 -179.09(15) ?
N30 C20 C29 C24 -121.04(13) ?
C4 C20 C29 C24 121.18(13) ?
C21 C20 C29 C24 1.02(14) ?
C29 C20 N30 C31 74.11(17) ?
C4 C20 N30 C31 -159.61(13) ?
C21 C20 N30 C31 -41.48(17) ?
C29 C20 N30 C34 -161.20(12) ?
C4 C20 N30 C34 -34.92(14) ?
C21 C20 N30 C34 83.20(14) ?
C20 N30 C31 C32 136.28(16) ?
C34 N30 C31 C32 11.67(19) ?
N30 C31 C32 C33 -30.7(2) ?
C31 C32 C33 C34 37.5(2) ?
C20 N30 C34 C33 -117.26(13) ?
C31 N30 C34 C33 11.99(17) ?
C20 N30 C34 C11 9.54(15) ?
C31 N30 C34 C11 138.79(13) ?
C32 C33 C34 N30 -30.29(18) ?
C32 C33 C34 C11 -148.91(15) ?
C12 C11 C34 N30 143.48(13) ?
C4 C11 C34 N30 19.96(14) ?
C12 C11 C34 C33 -98.20(17) ?
C4 C11 C34 C33 138.28(13) ?
loop_
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1 ChemSpider 4148043
