#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/30/7013023.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_7013023
loop_
_publ_author_name
'Fei, Zhaofu'
'Scopelliti, Rosario'
'Dyson, Paul J.'
_publ_section_title
;
 Influence of the functional group on the synthesis of aminophosphines,
 diphosphinoamines and iminobiphosphines
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2772
_journal_paper_doi               10.1039/b303645f
_journal_year                    2003
_chemical_formula_sum            'C31 H24 N2 P2'
_chemical_formula_weight         486.46
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 91.048(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.397(4)
_cell_length_b                   11.702(4)
_cell_length_c                   18.829(3)
_cell_measurement_reflns_used    2462
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      21.13005
_cell_measurement_theta_min      1.78825
_cell_volume                     2510.8(13)
_computing_cell_refinement       'Oxford Diffraction CrysAlis RED'
_computing_data_collection       'marresearch, mar345'
_computing_data_reduction        'Oxford Diffraction CrysAlis RED'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'marresearch mar345 IPDS'
_diffrn_measurement_method
'60 images with deltaphi = 3 deg. and exp. time = 180 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13933
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_T_max  0.7060
_exptl_absorpt_correction_T_min  0.2490
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
; 
(See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166) 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.001(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0708
_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)+(0.1301P)²+0.7289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2009
_refine_ls_wR_factor_ref         0.2181
_reflns_number_gt                3263
_reflns_number_total             4318
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303645f.txt
_cod_data_source_block           3b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        2510.7(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7013023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
P1 P 0.28559(7) 0.31564(7) 0.05059(4) 0.0439(3) Uani 1 1 d . . .
P2 P 0.23950(8) 0.17084(7) 0.17227(4) 0.0449(3) Uani 1 1 d . . .
N1 N 0.2600(2) 0.1790(2) 0.08200(13) 0.0428(6) Uani 1 1 d . . .
N2 N 0.2366(3) -0.2907(3) -0.13117(16) 0.0605(8) Uani 1 1 d . . .
C1 C 0.2556(3) 0.0805(3) 0.03666(16) 0.0422(7) Uani 1 1 d . . .
C2 C 0.3521(3) 0.0072(3) 0.03252(17) 0.0452(7) Uani 1 1 d . . .
H2 H 0.4215 0.0232 0.0595 0.054 Uiso 1 1 calc R . .
C3 C 0.3473(3) -0.0882(3) -0.01042(17) 0.0458(7) Uani 1 1 d . . .
H3 H 0.4133 -0.1375 -0.0131 0.055 Uiso 1 1 calc R . .
C4 C 0.2461(3) -0.1121(3) -0.04978(15) 0.0433(7) Uani 1 1 d . . .
C5 C 0.1493(3) -0.0401(3) -0.04585(16) 0.0459(7) Uani 1 1 d . . .
H5 H 0.0800 -0.0566 -0.0727 0.055 Uiso 1 1 calc R . .
C6 C 0.1542(3) 0.0550(3) -0.00302(16) 0.0450(7) Uani 1 1 d . . .
H6 H 0.0878 0.1039 -0.0004 0.054 Uiso 1 1 calc R . .
C7 C 0.2407(3) -0.2115(3) -0.09499(18) 0.0487(8) Uani 1 1 d . . .
C8 C 0.1606(3) 0.3449(3) -0.00935(16) 0.0465(7) Uani 1 1 d . . .
C9 C 0.0478(3) 0.3215(3) 0.01318(18) 0.0491(8) Uani 1 1 d . . .
H9 H 0.0371 0.2809 0.0563 0.059 Uiso 1 1 calc R . .
C10 C -0.0495(3) 0.3567(3) -0.02648(19) 0.0534(8) Uani 1 1 d . . .
H10 H -0.1261 0.3388 -0.0109 0.064 Uiso 1 1 calc R . .
C11 C -0.0351(3) 0.4179(3) -0.08867(18) 0.0516(8) Uani 1 1 d . . .
H11 H -0.1017 0.4417 -0.1158 0.062 Uiso 1 1 calc R . .
C12 C 0.0762(3) 0.4441(3) -0.11107(17) 0.0515(8) Uani 1 1 d . . .
H12 H 0.0863 0.4872 -0.1533 0.062 Uiso 1 1 calc R . .
C13 C 0.1733(3) 0.4074(3) -0.07192(17) 0.0479(7) Uani 1 1 d . . .
H13 H 0.2498 0.4250 -0.0879 0.058 Uiso 1 1 calc R . .
C14 C 0.4050(3) 0.2993(3) -0.01265(17) 0.0455(7) Uani 1 1 d . . .
C15 C 0.5077(3) 0.3601(3) 0.00337(19) 0.0501(8) Uani 1 1 d . . .
H15 H 0.5142 0.4014 0.0467 0.060 Uiso 1 1 calc R . .
C16 C 0.6007(3) 0.3606(3) -0.0437(2) 0.0590(9) Uani 1 1 d . . .
H16 H 0.6698 0.4029 -0.0325 0.071 Uiso 1 1 calc R . .
C17 C 0.5925(3) 0.2999(3) -0.1064(2) 0.0614(10) Uani 1 1 d . . .
H17 H 0.6560 0.2999 -0.1384 0.074 Uiso 1 1 calc R . .
C18 C 0.4913(3) 0.2388(3) -0.12259(19) 0.0597(9) Uani 1 1 d . . .
H18 H 0.4858 0.1970 -0.1658 0.072 Uiso 1 1 calc R . .
C19 C 0.3982(3) 0.2382(3) -0.07641(17) 0.0517(8) Uani 1 1 d . . .
H19 H 0.3293 0.1959 -0.0881 0.062 Uiso 1 1 calc R . .
C20 C 0.3635(3) 0.0851(3) 0.20582(16) 0.0467(7) Uani 1 1 d . . .
C21 C 0.4772(3) 0.1170(3) 0.18659(17) 0.0508(8) Uani 1 1 d . . .
H21 H 0.4873 0.1754 0.1522 0.061 Uiso 1 1 calc R . .
C22 C 0.5746(3) 0.0649(4) 0.21674(19) 0.0588(9) Uani 1 1 d . . .
H22 H 0.6508 0.0872 0.2025 0.071 Uiso 1 1 calc R . .
C23 C 0.5623(3) -0.0201(3) 0.26772(18) 0.0575(9) Uani 1 1 d . . .
H23 H 0.6292 -0.0562 0.2884 0.069 Uiso 1 1 calc R . .
C24 C 0.4504(3) -0.0507(3) 0.28760(17) 0.0539(8) Uani 1 1 d . . .
H24 H 0.4409 -0.1084 0.3225 0.065 Uiso 1 1 calc R . .
C25 C 0.3524(3) 0.0010(3) 0.25780(16) 0.0479(8) Uani 1 1 d . . .
H25 H 0.2765 -0.0209 0.2729 0.057 Uiso 1 1 calc R . .
C26 C 0.1163(3) 0.0715(3) 0.18058(16) 0.0467(7) Uani 1 1 d . . .
C27 C 0.1177(3) -0.0451(3) 0.16327(17) 0.0514(8) Uani 1 1 d . . .
H27 H 0.1857 -0.0773 0.1427 0.062 Uiso 1 1 calc R . .
C28 C 0.0207(3) -0.1145(3) 0.1759(2) 0.0599(9) Uani 1 1 d . . .
H28 H 0.0223 -0.1932 0.1634 0.072 Uiso 1 1 calc R . .
C29 C -0.0780(3) -0.0681(4) 0.20672(19) 0.0621(10) Uani 1 1 d . . .
H29 H -0.1435 -0.1154 0.2164 0.075 Uiso 1 1 calc R . .
C30 C -0.0813(3) 0.0461(4) 0.22327(17) 0.0588(9) Uani 1 1 d . . .
H30 H -0.1496 0.0778 0.2438 0.071 Uiso 1 1 calc R . .
C31 C 0.0149(3) 0.1159(3) 0.21016(16) 0.0510(8) Uani 1 1 d . . .
H31 H 0.0113 0.1948 0.2216 0.061 Uiso 1 1 calc R . .
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'
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
N1 P1 C8 104.42(14) . . ?
N1 P1 C14 104.90(14) . . ?
C8 P1 C14 101.36(14) . . ?
N1 P2 C26 103.72(14) . . ?
N1 P2 C20 104.62(13) . . ?
C26 P2 C20 102.14(15) . . ?
C1 N1 P2 122.6(2) . . ?
C1 N1 P1 122.9(2) . . ?
P2 N1 P1 114.49(14) . . ?
C6 C1 C2 118.9(3) . . ?
C6 C1 N1 120.6(3) . . ?
C2 C1 N1 120.5(3) . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 C7 120.2(3) . . ?
C5 C4 C7 119.7(3) . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
N2 C7 C4 179.9(5) . . ?
C9 C8 C13 118.2(3) . . ?
C9 C8 P1 119.2(2) . . ?
C13 C8 P1 121.7(3) . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 119.8(3) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 119.9(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 121.1(3) . . ?
C12 C13 H13 119.5 . . ?
C8 C13 H13 119.5 . . ?
C15 C14 C19 118.6(3) . . ?
C15 C14 P1 115.8(2) . . ?
C19 C14 P1 125.5(3) . . ?
C16 C15 C14 120.6(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 120.1(4) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.8(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 120.6(4) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C14 120.4(3) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C25 C20 C21 117.7(3) . . ?
C25 C20 P2 123.2(2) . . ?
C21 C20 P2 118.4(2) . . ?
C22 C21 C20 121.1(3) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 120.6(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 118.5(3) . . ?
C24 C23 H23 120.7 . . ?
C22 C23 H23 120.7 . . ?
C25 C24 C23 121.3(3) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C20 120.7(3) . . ?
C24 C25 H25 119.6 . . ?
C20 C25 H25 119.6 . . ?
C31 C26 C27 117.9(3) . . ?
C31 C26 P2 116.2(3) . . ?
C27 C26 P2 125.8(3) . . ?
C28 C27 C26 120.9(3) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C29 C28 C27 119.6(4) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C30 C29 C28 120.1(3) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.4(4) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C26 C31 C30 121.0(4) . . ?
C26 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
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
P1 N1 1.732(3) . ?
P1 C8 1.834(4) . ?
P1 C14 1.834(3) . ?
P2 N1 1.723(3) . ?
P2 C26 1.832(3) . ?
P2 C20 1.835(3) . ?
N1 C1 1.434(4) . ?
N2 C7 1.151(5) . ?
C1 C6 1.397(5) . ?
C1 C2 1.399(4) . ?
C2 C3 1.379(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(5) . ?
C4 C7 1.441(5) . ?
C5 C6 1.375(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C8 C9 1.388(5) . ?
C8 C13 1.396(5) . ?
C9 C10 1.388(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(5) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.399(5) . ?
C14 C19 1.399(5) . ?
C15 C16 1.393(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.386(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.395(4) . ?
C20 C21 1.402(5) . ?
C21 C22 1.380(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(5) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.392(5) . ?
C26 C27 1.404(5) . ?
C27 C28 1.395(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.387(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.373(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(5) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
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
C26 P2 N1 C1 -42.3(3) . . . . ?
C20 P2 N1 C1 64.4(3) . . . . ?
C26 P2 N1 P1 137.42(17) . . . . ?
C20 P2 N1 P1 -115.87(17) . . . . ?
C8 P1 N1 C1 63.0(3) . . . . ?
C14 P1 N1 C1 -43.2(3) . . . . ?
C8 P1 N1 P2 -116.74(17) . . . . ?
C14 P1 N1 P2 137.06(17) . . . . ?
P2 N1 C1 C6 99.1(3) . . . . ?
P1 N1 C1 C6 -80.6(3) . . . . ?
P2 N1 C1 C2 -79.6(3) . . . . ?
P1 N1 C1 C2 100.7(3) . . . . ?
C6 C1 C2 C3 0.5(5) . . . . ?
N1 C1 C2 C3 179.2(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C2 C3 C4 C7 179.7(3) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C7 C4 C5 C6 -179.7(3) . . . . ?
C4 C5 C6 C1 0.2(5) . . . . ?
C2 C1 C6 C5 -0.5(5) . . . . ?
N1 C1 C6 C5 -179.2(3) . . . . ?
C3 C4 C7 N2 -78(100) . . . . ?
C5 C4 C7 N2 102(100) . . . . ?
N1 P1 C8 C9 47.5(3) . . . . ?
C14 P1 C8 C9 156.3(3) . . . . ?
N1 P1 C8 C13 -143.4(3) . . . . ?
C14 P1 C8 C13 -34.6(3) . . . . ?
C13 C8 C9 C10 1.6(5) . . . . ?
P1 C8 C9 C10 171.2(3) . . . . ?
C8 C9 C10 C11 -1.2(5) . . . . ?
C9 C10 C11 C12 -0.2(5) . . . . ?
C10 C11 C12 C13 1.1(5) . . . . ?
C11 C12 C13 C8 -0.7(5) . . . . ?
C9 C8 C13 C12 -0.7(5) . . . . ?
P1 C8 C13 C12 -169.9(3) . . . . ?
N1 P1 C14 C15 -119.6(3) . . . . ?
C8 P1 C14 C15 132.0(3) . . . . ?
N1 P1 C14 C19 64.7(3) . . . . ?
C8 P1 C14 C19 -43.7(3) . . . . ?
C19 C14 C15 C16 0.7(5) . . . . ?
P1 C14 C15 C16 -175.2(3) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C15 C16 C17 C18 0.3(6) . . . . ?
C16 C17 C18 C19 0.0(6) . . . . ?
C17 C18 C19 C14 0.0(5) . . . . ?
C15 C14 C19 C18 -0.4(5) . . . . ?
P1 C14 C19 C18 175.1(3) . . . . ?
N1 P2 C20 C25 -138.7(3) . . . . ?
C26 P2 C20 C25 -30.9(3) . . . . ?
N1 P2 C20 C21 51.4(3) . . . . ?
C26 P2 C20 C21 159.2(3) . . . . ?
C25 C20 C21 C22 1.6(5) . . . . ?
P2 C20 C21 C22 172.1(3) . . . . ?
C20 C21 C22 C23 -0.7(6) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
C22 C23 C24 C25 0.2(6) . . . . ?
C23 C24 C25 C20 0.8(5) . . . . ?
C21 C20 C25 C24 -1.7(5) . . . . ?
P2 C20 C25 C24 -171.7(3) . . . . ?
N1 P2 C26 C31 -117.2(2) . . . . ?
C20 P2 C26 C31 134.3(2) . . . . ?
N1 P2 C26 C27 66.3(3) . . . . ?
C20 P2 C26 C27 -42.3(3) . . . . ?
C31 C26 C27 C28 -0.5(5) . . . . ?
P2 C26 C27 C28 176.0(3) . . . . ?
C26 C27 C28 C29 -0.8(5) . . . . ?
C27 C28 C29 C30 1.5(5) . . . . ?
C28 C29 C30 C31 -0.9(5) . . . . ?
C27 C26 C31 C30 1.1(5) . . . . ?
P2 C26 C31 C30 -175.7(2) . . . . ?
C29 C30 C31 C26 -0.4(5) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21146132
