#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:21:36 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010878.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_7010878
loop_
_publ_author_name
'Simon J. Coles'
'David B. Davies'
'Robert J. Eaton'
'Michael B. Hursthouse'
'Adem Kiliç'
'Thomas A. Mayer'
'Robert A. Shaw'
'Gönül Yenilmez'
_publ_section_title
;
 Chiral configurations of spermine-bridged cyclotriphosphazatrienes
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              365
_journal_page_last               370
_journal_paper_doi               10.1039/b104973a
_journal_year                    2002
_chemical_formula_sum            'C34 H42 Cl4 N10 P6'
_chemical_formula_weight         918.40
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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            4
_cell_length_a                   28.970(6)
_cell_length_b                   13.965(3)
_cell_length_c                   10.247(2)
_cell_measurement_reflns_used    27502
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     4145.6(15)
_computing_cell_refinement       'DENZO, COLLECT'
_computing_data_reduction        'DENZO, COLLECT'
_computing_molecular_graphics    'CAMERON (Watkin, Pearce 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD Area Detector'
_diffrn_measurement_method       '\\f and \\w scans to fill Ewald Sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_av_sigmaI/netI    0.0995
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            28171
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(5)
_refine_ls_extinction_coef       0.00000(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         8200
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          1.977
_refine_ls_shift/su_mean         0.210
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0314P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                5836
_reflns_number_total             8200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104973a.txt
_cod_data_source_block           3cb
_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 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4145.9(14)
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7010878
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N9 N 0.44809(11) 0.0585(2) 0.1438(3) 0.0298(8) Uani 1 1 d . . .
H12 H 0.1632(10) 0.116(2) 0.121(3) 0.011(8) Uiso 1 1 d . . .
H2 H 0.0391(12) 0.049(2) 0.182(4) 0.016(11) Uiso 1 1 d . . .
H10 H 0.1724(11) -0.010(2) -0.230(4) 0.020(9) Uiso 1 1 d . . .
H28 H 0.4282(11) -0.133(2) -0.109(3) 0.008(9) Uiso 1 1 d . . .
H6 H 0.0661(11) -0.145(2) 0.446(3) 0.010(9) Uiso 1 1 d . . .
H27 H 0.4410(15) -0.303(3) -0.089(5) 0.061(14) Uiso 1 1 d . . .
H5 H -0.0093(11) -0.166(2) 0.455(3) 0.013(10) Uiso 1 1 d . . .
H3 H -0.0386(12) 0.029(2) 0.206(3) 0.019(10) Uiso 1 1 d . . .
H14A H 0.2868(13) -0.237(2) 0.619(4) 0.022(10) Uiso 1 1 d . . .
H9 H 0.1326(12) -0.133(3) -0.130(4) 0.027(11) Uiso 1 1 d . . .
H17A H 0.2750(11) -0.154(2) 0.144(3) 0.023(10) Uiso 1 1 d . . .
H18B H 0.2964(13) 0.041(3) 0.119(4) 0.041(13) Uiso 1 1 d . . .
H16B H 0.2648(14) 0.014(3) 0.338(4) 0.061(14) Uiso 1 1 d . . .
H19A H 0.3345(16) -0.101(3) -0.051(5) 0.062(15) Uiso 1 1 d . . .
H16A H 0.2282(15) -0.033(3) 0.239(4) 0.049(14) Uiso 1 1 d . . .
H13A H 0.2297(12) -0.144(2) 0.708(4) 0.021(10) Uiso 1 1 d . . .
H18A H 0.2657(16) -0.020(3) 0.024(4) 0.052(14) Uiso 1 1 d . . .
H32 H 0.6255(15) 0.245(3) -0.068(5) 0.058(14) Uiso 1 1 d . . .
H33 H 0.5931(17) 0.232(3) 0.150(5) 0.073(16) Uiso 1 1 d . . .
H4 H -0.0644(16) -0.081(3) 0.351(4) 0.054(15) Uiso 1 1 d . . .
H11 H 0.1868(13) 0.123(2) -0.091(4) 0.033(11) Uiso 1 1 d . . .
H22A H 0.3716(18) 0.118(4) -0.392(6) 0.078(19) Uiso 1 1 d . . .
H13B H 0.2115(15) -0.248(3) 0.708(5) 0.053(14) Uiso 1 1 d . . .
H25 H 0.5474(14) -0.239(3) 0.132(4) 0.034(13) Uiso 1 1 d . . .
H26 H 0.5015(17) -0.352(4) 0.032(5) 0.059(15) Uiso 1 1 d . . .
H14B H 0.2514(17) -0.283(3) 0.523(5) 0.058(16) Uiso 1 1 d . . .
H34 H 0.5271(18) 0.127(3) 0.171(5) 0.072(17) Uiso 1 1 d . . .
H17B H 0.3146(14) -0.094(3) 0.232(4) 0.039(12) Uiso 1 1 d . . .
H30 H 0.5241(17) 0.085(3) -0.215(5) 0.063(17) Uiso 1 1 d . . .
H22B H 0.3511(14) 0.213(3) -0.398(5) 0.055(13) Uiso 1 1 d . . .
H8 H 0.1049(16) -0.132(3) 0.075(5) 0.061(16) Uiso 1 1 d . . .
H24 H 0.5407(14) -0.087(3) 0.136(4) 0.051(13) Uiso 1 1 d . . .
H19B H 0.3619(18) -0.039(3) 0.056(5) 0.066(16) Uiso 1 1 d . . .
P2 P 0.16837(3) 0.10317(7) 0.46671(10) 0.0226(2) Uani 1 1 d . . .
P3 P 0.18862(3) -0.09088(6) 0.45875(10) 0.0207(2) Uani 1 1 d . . .
P1 P 0.12019(3) -0.01267(6) 0.29533(9) 0.0213(2) Uani 1 1 d . . .
P4 P 0.38352(3) 0.10955(7) -0.09736(10) 0.0247(2) Uani 1 1 d . . .
Cl1 Cl 0.13958(4) 0.17437(7) 0.61706(9) 0.0355(3) Uani 1 1 d . . .
P5 P 0.46657(3) 0.03278(7) -0.00083(10) 0.0260(2) Uani 1 1 d . . .
Cl2 Cl 0.21457(4) 0.20439(7) 0.41028(11) 0.0370(3) Uani 1 1 d . . .
Cl3 Cl 0.44058(4) 0.26151(8) 0.22480(11) 0.0463(3) Uani 1 1 d . . .
P6 P 0.41152(4) 0.13988(7) 0.15865(10) 0.0293(3) Uani 1 1 d . . .
Cl4 Cl 0.37154(4) 0.10765(8) 0.31355(10) 0.0455(3) Uani 1 1 d . . .
N3 N 0.14732(10) -0.10139(19) 0.3591(3) 0.0194(7) Uani 1 1 d . . .
N2 N 0.19536(10) 0.0149(2) 0.5195(3) 0.0244(8) Uani 1 1 d . . .
N1 N 0.13183(10) 0.09213(19) 0.3555(3) 0.0227(7) Uani 1 1 d . . .
N10 N 0.37986(12) 0.1670(2) 0.0395(3) 0.0299(8) Uani 1 1 d . . .
C13 C 0.22153(15) -0.1925(4) 0.6558(4) 0.0327(10) Uani 1 1 d . . .
N6 N 0.33885(10) 0.0375(2) -0.1091(3) 0.0301(8) Uani 1 1 d . . .
C29 C 0.51989(13) 0.0971(3) -0.0186(4) 0.0298(10) Uani 1 1 d . . .
C2 C 0.02708(15) 0.0155(3) 0.2389(5) 0.0341(11) Uani 1 1 d . . .
C24 C 0.51752(16) -0.1250(3) 0.0745(4) 0.0389(11) Uani 1 1 d . . .
C7 C 0.13334(12) -0.0068(2) 0.1244(4) 0.0205(8) Uani 1 1 d . . .
C6 C 0.04453(14) -0.1078(3) 0.3917(4) 0.0290(9) Uani 1 1 d . . .
C10 C 0.16114(14) -0.0109(3) -0.1357(4) 0.0318(10) Uani 1 1 d . . .
C16 C 0.25273(16) -0.0533(3) 0.2862(5) 0.0327(10) Uani 1 1 d . . .
C23 C 0.48050(13) -0.0921(3) 0.0000(4) 0.0277(9) Uani 1 1 d . . .
C26 C 0.49765(18) -0.2869(3) 0.0219(5) 0.0416(12) Uani 1 1 d . . .
N8 N 0.43092(11) 0.0531(2) -0.1145(3) 0.0279(8) Uani 1 1 d . . .
N5 N 0.23787(10) -0.1228(2) 0.3848(3) 0.0238(7) Uani 1 1 d . . .
C8 C 0.12382(16) -0.0855(3) 0.0444(4) 0.0355(11) Uani 1 1 d . . .
C28 C 0.45274(15) -0.1581(3) -0.0626(4) 0.0297(10) Uani 1 1 d . . .
C1 C 0.05953(12) -0.0372(2) 0.3083(4) 0.0231(8) Uani 1 1 d . . .
C27 C 0.46143(16) -0.2557(3) -0.0532(5) 0.0379(11) Uani 1 1 d . . .
N7 N 0.37530(11) 0.1881(2) -0.2138(3) 0.0311(8) Uani 1 1 d . . .
H7N H 0.3836 0.2466 -0.2028 0.037 Uiso 1 1 calc R . .
N4 N 0.18161(11) -0.1661(2) 0.5771(3) 0.0265(8) Uani 1 1 d . . .
H4N H 0.1549 -0.1901 0.5933 0.032 Uiso 1 1 calc R . .
C5 C -0.00206(15) -0.1257(3) 0.4050(5) 0.0366(11) Uani 1 1 d . . .
C30 C 0.53973(17) 0.1060(3) -0.1400(5) 0.0418(12) Uani 1 1 d . . .
C19 C 0.33415(15) -0.0372(3) -0.0087(4) 0.0331(10) Uani 1 1 d . . .
C12 C 0.15632(15) 0.0695(3) 0.0697(4) 0.0301(10) Uani 1 1 d . . .
C3 C -0.01909(15) -0.0037(3) 0.2518(5) 0.0395(12) Uani 1 1 d . . .
C18 C 0.29244(16) -0.0201(3) 0.0791(5) 0.0327(10) Uani 1 1 d . . .
C11 C 0.17018(15) 0.0674(3) -0.0595(4) 0.0348(11) Uani 1 1 d . . .
C17 C 0.28648(16) -0.0912(3) 0.1869(4) 0.0326(10) Uani 1 1 d . . .
C15 C 0.27565(14) -0.1523(3) 0.4736(4) 0.0407(11) Uani 1 1 d . . .
H15A H 0.2869 -0.0964 0.5200 0.049 Uiso 1 1 calc R . .
H15B H 0.3010 -0.1776 0.4222 0.049 Uiso 1 1 calc R . .
C25 C 0.52487(18) -0.2231(3) 0.0849(5) 0.0432(12) Uani 1 1 d . . .
C22 C 0.3541(2) 0.1590(4) -0.3345(5) 0.0512(14) Uani 1 1 d . . .
C9 C 0.13793(17) -0.0867(3) -0.0830(4) 0.0406(12) Uani 1 1 d . . .
C20 C 0.31401(17) 0.0207(4) -0.2297(4) 0.0549(14) Uani 1 1 d . . .
H20A H 0.2835 -0.0035 -0.2091 0.066 Uiso 1 1 calc R . .
H20B H 0.3300 -0.0284 -0.2792 0.066 Uiso 1 1 calc R . .
C14 C 0.26084(17) -0.2263(4) 0.5708(5) 0.0420(12) Uani 1 1 d . . .
C4 C -0.03334(16) -0.0739(3) 0.3357(4) 0.0378(11) Uani 1 1 d . . .
C21 C 0.30926(18) 0.1080(4) -0.3126(5) 0.0625(16) Uani 1 1 d . . .
H21A H 0.2877 0.1517 -0.2713 0.075 Uiso 1 1 calc R . .
H21B H 0.2964 0.0898 -0.3965 0.075 Uiso 1 1 calc R . .
C34 C 0.54122(17) 0.1384(4) 0.0874(5) 0.0471(13) Uani 1 1 d . . .
C32 C 0.59904(16) 0.2024(4) -0.0518(6) 0.0524(14) Uani 1 1 d . . .
C31 C 0.57968(16) 0.1612(3) -0.1555(5) 0.0481(13) Uani 1 1 d . . .
H31 H 0.5927 0.1690 -0.2378 0.058 Uiso 1 1 calc R . .
C33 C 0.58127(18) 0.1919(4) 0.0711(6) 0.0551(14) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
P6 N9 P5 118.42(19) . . ?
N2 P2 N1 121.03(16) . . ?
N2 P2 Cl1 109.45(13) . . ?
N1 P2 Cl1 109.02(12) . . ?
N2 P2 Cl2 108.61(13) . . ?
N1 P2 Cl2 107.91(12) . . ?
Cl1 P2 Cl2 98.46(6) . . ?
N3 P3 N2 115.19(15) . . ?
N3 P3 N4 109.23(16) . . ?
N2 P3 N4 108.69(16) . . ?
N3 P3 N5 109.12(16) . . ?
N2 P3 N5 108.35(16) . . ?
N4 P3 N5 105.85(15) . . ?
N3 P1 N1 116.06(15) . . ?
N3 P1 C7 109.16(16) . . ?
N1 P1 C7 106.61(16) . . ?
N3 P1 C1 107.57(16) . . ?
N1 P1 C1 110.30(16) . . ?
C7 P1 C1 106.77(17) . . ?
N8 P4 N10 113.41(17) . . ?
N8 P4 N7 112.11(17) . . ?
N10 P4 N7 106.84(16) . . ?
N8 P4 N6 111.57(17) . . ?
N10 P4 N6 108.35(17) . . ?
N7 P4 N6 104.01(17) . . ?
N8 P5 N9 114.78(17) . . ?
N8 P5 C23 108.97(18) . . ?
N9 P5 C23 106.67(17) . . ?
N8 P5 C29 113.40(18) . . ?
N9 P5 C29 105.46(18) . . ?
C23 P5 C29 107.10(18) . . ?
N9 P6 N10 119.70(17) . . ?
N9 P6 Cl3 111.29(14) . . ?
N10 P6 Cl3 107.58(13) . . ?
N9 P6 Cl4 107.71(13) . . ?
N10 P6 Cl4 109.25(14) . . ?
Cl3 P6 Cl4 99.41(7) . . ?
P3 N3 P1 124.18(18) . . ?
P2 N2 P3 122.0(2) . . ?
P2 N1 P1 120.44(18) . . ?
P6 N10 P4 121.0(2) . . ?
N4 C13 C14 111.0(4) . . ?
C20 N6 C19 115.8(3) . . ?
C20 N6 P4 123.5(3) . . ?
C19 N6 P4 117.1(3) . . ?
C34 C29 C30 119.2(4) . . ?
C34 C29 P5 121.0(3) . . ?
C30 C29 P5 119.7(3) . . ?
C3 C2 C1 120.5(4) . . ?
C25 C24 C23 119.0(5) . . ?
C12 C7 C8 117.7(4) . . ?
C12 C7 P1 122.4(3) . . ?
C8 C7 P1 119.6(3) . . ?
C1 C6 C5 120.0(4) . . ?
C9 C10 C11 119.2(4) . . ?
N5 C16 C17 115.1(3) . . ?
C28 C23 C24 118.8(4) . . ?
C28 C23 P5 121.1(3) . . ?
C24 C23 P5 119.8(3) . . ?
C25 C26 C27 120.2(4) . . ?
P5 N8 P4 124.7(2) . . ?
C16 N5 C15 113.0(3) . . ?
C16 N5 P3 112.7(2) . . ?
C15 N5 P3 115.1(3) . . ?
C9 C8 C7 120.7(4) . . ?
C23 C28 C27 121.1(4) . . ?
C6 C1 C2 119.0(4) . . ?
C6 C1 P1 119.5(3) . . ?
C2 C1 P1 121.6(3) . . ?
C26 C27 C28 119.3(4) . . ?
C22 N7 P4 119.9(3) . . ?
C13 N4 P3 118.7(3) . . ?
C4 C5 C6 120.3(5) . . ?
C29 C30 C31 119.8(5) . . ?
N6 C19 C18 112.0(3) . . ?
C7 C12 C11 120.9(4) . . ?
C4 C3 C2 119.7(5) . . ?
C17 C18 C19 115.0(4) . . ?
C10 C11 C12 120.4(4) . . ?
C18 C17 C16 109.9(4) . . ?
N5 C15 C14 112.8(4) . . ?
C26 C25 C24 121.5(5) . . ?
N7 C22 C21 112.1(4) . . ?
C10 C9 C8 121.0(4) . . ?
N6 C20 C21 113.5(4) . . ?
C15 C14 C13 112.6(4) . . ?
C5 C4 C3 120.6(4) . . ?
C20 C21 C22 113.2(4) . . ?
C29 C34 C33 120.3(5) . . ?
C31 C32 C33 121.9(5) . . ?
C32 C31 C30 119.8(5) . . ?
C32 C33 C34 118.8(5) . . ?
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
N9 P6 1.561(3) . ?
N9 P5 1.616(3) . ?
P2 N2 1.557(3) . ?
P2 N1 1.563(3) . ?
P2 Cl1 2.0144(14) . ?
P2 Cl2 2.0308(13) . ?
P3 N3 1.580(3) . ?
P3 N2 1.615(3) . ?
P3 N4 1.618(3) . ?
P3 N5 1.676(3) . ?
P1 N3 1.606(3) . ?
P1 N1 1.624(3) . ?
P1 C7 1.795(4) . ?
P1 C1 1.795(4) . ?
P4 N8 1.593(3) . ?
P4 N10 1.620(3) . ?
P4 N7 1.638(3) . ?
P4 N6 1.644(3) . ?
P5 N8 1.582(3) . ?
P5 C23 1.791(4) . ?
P5 C29 1.796(4) . ?
Cl3 P6 2.0133(15) . ?
P6 N10 1.573(3) . ?
P6 Cl4 2.0159(15) . ?
C13 N4 1.457(5) . ?
C13 C14 1.509(6) . ?
N6 C20 1.450(5) . ?
N6 C19 1.471(5) . ?
C29 C34 1.376(6) . ?
C29 C30 1.376(6) . ?
C2 C3 1.370(6) . ?
C2 C1 1.390(5) . ?
C24 C25 1.391(6) . ?
C24 C23 1.394(6) . ?
C7 C12 1.376(5) . ?
C7 C8 1.397(5) . ?
C6 C1 1.376(5) . ?
C6 C5 1.379(6) . ?
C10 C9 1.365(6) . ?
C10 C11 1.369(6) . ?
C16 N5 1.465(5) . ?
C16 C17 1.508(6) . ?
C23 C28 1.381(5) . ?
C26 C25 1.354(7) . ?
C26 C27 1.372(7) . ?
N5 C15 1.482(5) . ?
C8 C9 1.369(6) . ?
C28 C27 1.388(6) . ?
N7 C22 1.440(6) . ?
C5 C4 1.359(6) . ?
C30 C31 1.399(6) . ?
C19 C18 1.525(6) . ?
C12 C11 1.384(5) . ?
C3 C4 1.368(6) . ?
C18 C17 1.496(6) . ?
C15 C14 1.498(6) . ?
C22 C21 1.498(7) . ?
C20 C21 1.493(6) . ?
C34 C33 1.390(7) . ?
C32 C31 1.332(7) . ?
C32 C33 1.369(7) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4416365
2 PubChem 139154372
