#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/30/7013026.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_7013026
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            'C30 H20 F5 N P2'
_chemical_formula_weight         551.41
_chemical_name_systematic
; 
? 
;
_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                108.49(4)
_cell_angle_beta                 95.79(4)
_cell_angle_gamma                110.44(4)
_cell_formula_units_Z            2
_cell_length_a                   10.322(6)
_cell_length_b                   10.871(4)
_cell_length_c                   13.079(6)
_cell_measurement_reflns_used    908
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      19.0011
_cell_measurement_theta_min      2.1166
_cell_volume                     1266.7(12)
_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 0.938
_diffrn_measured_fraction_theta_max 0.938
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7700
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.230
_exptl_absorpt_correction_T_max  0.6670
_exptl_absorpt_correction_T_min  0.1980
_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    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       0.0030(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0477
_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)+(0.0789P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1373
_reflns_number_gt                2862
_reflns_number_total             4197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303645f.txt
_cod_data_source_block           4e
_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 
;
_cod_original_cell_volume        1266.7(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013026
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.12933(8) -0.04345(7) 0.18982(6) 0.0372(2) Uani 1 1 d . . .
P2 P 0.22370(8) -0.01737(8) 0.36104(6) 0.0395(2) Uani 1 1 d . . .
F1 F -0.07641(19) 0.13600(18) 0.20201(17) 0.0561(5) Uani 1 1 d . . .
F2 F -0.0754(2) 0.3947(2) 0.27451(19) 0.0660(6) Uani 1 1 d . . .
F3 F 0.1671(2) 0.62790(18) 0.31933(18) 0.0628(6) Uani 1 1 d . . .
F4 F 0.4122(2) 0.59336(17) 0.28241(18) 0.0613(6) Uani 1 1 d . . .
F5 F 0.41424(18) 0.33617(17) 0.21076(16) 0.0509(5) Uani 1 1 d . . .
N1 N 0.1733(3) 0.0922(2) 0.1598(2) 0.0410(6) Uani 1 1 d . . .
C1 C 0.1682(3) 0.2225(3) 0.2032(2) 0.0388(6) Uani 1 1 d . . .
C2 C 0.0471(3) 0.2466(3) 0.2203(3) 0.0437(7) Uani 1 1 d . . .
C3 C 0.0454(4) 0.3800(3) 0.2575(3) 0.0487(8) Uani 1 1 d . . .
C4 C 0.1680(4) 0.4977(3) 0.2791(3) 0.0465(8) Uani 1 1 d . . .
C5 C 0.2907(3) 0.4803(3) 0.2618(3) 0.0463(8) Uani 1 1 d . . .
C6 C 0.2901(3) 0.3460(3) 0.2248(3) 0.0417(7) Uani 1 1 d . . .
C7 C -0.0599(3) -0.1501(3) 0.1666(2) 0.0401(7) Uani 1 1 d . . .
C8 C -0.1137(3) -0.2272(3) 0.2316(3) 0.0420(7) Uani 1 1 d . . .
H8 H -0.0509 -0.2242 0.2916 0.050 Uiso 1 1 calc R . .
C9 C -0.2581(3) -0.3076(3) 0.2087(3) 0.0468(7) Uani 1 1 d . . .
H9 H -0.2941 -0.3599 0.2530 0.056 Uiso 1 1 calc R . .
C10 C -0.3501(3) -0.3125(3) 0.1224(3) 0.0486(8) Uani 1 1 d . . .
H10 H -0.4494 -0.3666 0.1078 0.058 Uiso 1 1 calc R . .
C11 C -0.2970(3) -0.2380(3) 0.0568(3) 0.0499(8) Uani 1 1 d . . .
H11 H -0.3603 -0.2425 -0.0036 0.060 Uiso 1 1 calc R . .
C12 C -0.1529(3) -0.1574(3) 0.0781(2) 0.0447(7) Uani 1 1 d . . .
H12 H -0.1175 -0.1070 0.0324 0.054 Uiso 1 1 calc R . .
C13 C 0.1951(3) -0.1589(3) 0.0987(2) 0.0399(7) Uani 1 1 d . . .
C14 C 0.2909(3) -0.1069(3) 0.0403(3) 0.0479(8) Uani 1 1 d . . .
H14 H 0.3196 -0.0114 0.0462 0.057 Uiso 1 1 calc R . .
C15 C 0.3449(4) -0.1938(4) -0.0266(3) 0.0554(9) Uani 1 1 d . . .
H15 H 0.4095 -0.1579 -0.0673 0.067 Uiso 1 1 calc R . .
C16 C 0.3059(4) -0.3314(3) -0.0347(3) 0.0551(9) Uani 1 1 d . . .
H16 H 0.3451 -0.3899 -0.0794 0.066 Uiso 1 1 calc R . .
C17 C 0.2101(4) -0.3842(3) 0.0221(3) 0.0539(8) Uani 1 1 d . . .
H17 H 0.1820 -0.4800 0.0153 0.065 Uiso 1 1 calc R . .
C18 C 0.1536(3) -0.2993(3) 0.0893(3) 0.0471(7) Uani 1 1 d . . .
H18 H 0.0873 -0.3366 0.1284 0.057 Uiso 1 1 calc R . .
C19 C 0.2162(3) 0.1539(3) 0.4332(2) 0.0416(7) Uani 1 1 d . . .
C20 C 0.3331(4) 0.2825(3) 0.4797(3) 0.0480(8) Uani 1 1 d . . .
H20 H 0.4254 0.2857 0.4751 0.058 Uiso 1 1 calc R . .
C21 C 0.3169(4) 0.4071(4) 0.5332(3) 0.0591(9) Uani 1 1 d . . .
H21 H 0.3982 0.4945 0.5653 0.071 Uiso 1 1 calc R . .
C22 C 0.1836(5) 0.4045(4) 0.5400(3) 0.0635(10) Uani 1 1 d . . .
H22 H 0.1724 0.4902 0.5742 0.076 Uiso 1 1 calc R . .
C23 C 0.0649(4) 0.2746(4) 0.4960(3) 0.0569(9) Uani 1 1 d . . .
H23 H -0.0271 0.2714 0.5022 0.068 Uiso 1 1 calc R . .
C24 C 0.0821(3) 0.1509(3) 0.4435(3) 0.0483(8) Uani 1 1 d . . .
H24 H 0.0014 0.0628 0.4141 0.058 Uiso 1 1 calc R . .
C25 C 0.4057(3) 0.0165(3) 0.3472(2) 0.0401(7) Uani 1 1 d . . .
C26 C 0.4910(3) 0.1203(3) 0.3125(3) 0.0475(8) Uani 1 1 d . . .
H26 H 0.4567 0.1846 0.2973 0.057 Uiso 1 1 calc R . .
C27 C 0.6249(4) 0.1289(4) 0.3006(3) 0.0536(8) Uani 1 1 d . . .
H27 H 0.6833 0.2009 0.2789 0.064 Uiso 1 1 calc R . .
C28 C 0.6746(3) 0.0339(4) 0.3199(3) 0.0518(8) Uani 1 1 d . . .
H28 H 0.7659 0.0389 0.3096 0.062 Uiso 1 1 calc R . .
C29 C 0.5919(3) -0.0679(3) 0.3542(3) 0.0473(7) Uani 1 1 d . . .
H29 H 0.6268 -0.1323 0.3687 0.057 Uiso 1 1 calc R . .
C30 C 0.4585(3) -0.0772(3) 0.3676(2) 0.0417(7) Uani 1 1 d . . .
H30 H 0.4021 -0.1483 0.3910 0.050 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'
F F 0.0171 0.0103 '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 C13 105.16(14) . . ?
N1 P1 C7 118.17(14) . . ?
C13 P1 C7 105.21(14) . . ?
N1 P1 P2 117.82(11) . . ?
C13 P1 P2 104.91(11) . . ?
C7 P1 P2 104.19(11) . . ?
C25 P2 C19 107.85(14) . . ?
C25 P2 P1 97.95(11) . . ?
C19 P2 P1 96.40(11) . . ?
C1 N1 P1 135.2(2) . . ?
N1 C1 C2 125.8(3) . . ?
N1 C1 C6 119.9(3) . . ?
C2 C1 C6 114.1(3) . . ?
F1 C2 C3 116.9(3) . . ?
F1 C2 C1 119.5(3) . . ?
C3 C2 C1 123.7(3) . . ?
F2 C3 C4 120.0(3) . . ?
F2 C3 C2 120.0(3) . . ?
C4 C3 C2 120.0(3) . . ?
F3 C4 C3 119.8(3) . . ?
F3 C4 C5 121.2(3) . . ?
C3 C4 C5 119.0(3) . . ?
F4 C5 C4 120.3(3) . . ?
F4 C5 C6 119.6(3) . . ?
C4 C5 C6 120.1(3) . . ?
F5 C6 C5 117.2(3) . . ?
F5 C6 C1 119.7(2) . . ?
C5 C6 C1 123.2(3) . . ?
C12 C7 C8 119.3(3) . . ?
C12 C7 P1 117.8(2) . . ?
C8 C7 P1 122.9(2) . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 119.6(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C7 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C7 C12 H12 120.1 . . ?
C14 C13 C18 119.5(3) . . ?
C14 C13 P1 120.0(2) . . ?
C18 C13 P1 120.5(2) . . ?
C15 C14 C13 120.1(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 119.7(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 119.3(3) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C20 C19 C24 118.8(3) . . ?
C20 C19 P2 124.8(3) . . ?
C24 C19 P2 116.3(2) . . ?
C19 C20 C21 120.7(3) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.4(3) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C24 C23 C22 119.7(4) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C19 120.8(3) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
C30 C25 C26 118.5(3) . . ?
C30 C25 P2 114.9(2) . . ?
C26 C25 P2 126.4(2) . . ?
C27 C26 C25 120.0(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 119.8(3) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 120.7(3) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
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 1.571(3) . ?
P1 C13 1.807(3) . ?
P1 C7 1.824(3) . ?
P1 P2 2.2379(16) . ?
P2 C25 1.824(3) . ?
P2 C19 1.834(3) . ?
F1 C2 1.347(3) . ?
F2 C3 1.343(4) . ?
F3 C4 1.348(3) . ?
F4 C5 1.342(4) . ?
F5 C6 1.348(4) . ?
N1 C1 1.371(4) . ?
C1 C2 1.390(4) . ?
C1 C6 1.405(4) . ?
C2 C3 1.382(4) . ?
C3 C4 1.373(4) . ?
C4 C5 1.375(5) . ?
C5 C6 1.382(4) . ?
C7 C12 1.390(4) . ?
C7 C8 1.398(4) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.382(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.385(4) . ?
C13 C18 1.393(4) . ?
C14 C15 1.382(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.372(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.372(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.383(4) . ?
C19 C24 1.395(4) . ?
C20 C21 1.389(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.400(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.391(4) . ?
C25 C26 1.401(4) . ?
C26 C27 1.380(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.373(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.378(4) . ?
C29 H29 0.9500 . ?
C30 H30 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
N1 P1 P2 C25 -70.45(15) . . . . ?
C13 P1 P2 C25 46.07(14) . . . . ?
C7 P1 P2 C25 156.40(13) . . . . ?
N1 P1 P2 C19 38.65(15) . . . . ?
C13 P1 P2 C19 155.17(14) . . . . ?
C7 P1 P2 C19 -94.51(14) . . . . ?
C13 P1 N1 C1 -172.8(3) . . . . ?
C7 P1 N1 C1 70.2(3) . . . . ?
P2 P1 N1 C1 -56.4(3) . . . . ?
P1 N1 C1 C2 -55.8(4) . . . . ?
P1 N1 C1 C6 130.2(3) . . . . ?
N1 C1 C2 F1 5.5(5) . . . . ?
C6 C1 C2 F1 179.9(3) . . . . ?
N1 C1 C2 C3 -175.5(3) . . . . ?
C6 C1 C2 C3 -1.2(4) . . . . ?
F1 C2 C3 F2 0.6(5) . . . . ?
C1 C2 C3 F2 -178.4(3) . . . . ?
F1 C2 C3 C4 179.2(3) . . . . ?
C1 C2 C3 C4 0.2(5) . . . . ?
F2 C3 C4 F3 1.2(5) . . . . ?
C2 C3 C4 F3 -177.5(3) . . . . ?
F2 C3 C4 C5 179.6(3) . . . . ?
C2 C3 C4 C5 0.9(5) . . . . ?
F3 C4 C5 F4 -1.5(5) . . . . ?
C3 C4 C5 F4 -179.9(3) . . . . ?
F3 C4 C5 C6 177.3(3) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
F4 C5 C6 F5 -0.4(4) . . . . ?
C4 C5 C6 F5 -179.2(3) . . . . ?
F4 C5 C6 C1 178.9(3) . . . . ?
C4 C5 C6 C1 0.0(5) . . . . ?
N1 C1 C6 F5 -5.0(4) . . . . ?
C2 C1 C6 F5 -179.7(3) . . . . ?
N1 C1 C6 C5 175.7(3) . . . . ?
C2 C1 C6 C5 1.0(4) . . . . ?
N1 P1 C7 C12 32.5(3) . . . . ?
C13 P1 C7 C12 -84.5(3) . . . . ?
P2 P1 C7 C12 165.4(2) . . . . ?
N1 P1 C7 C8 -149.5(2) . . . . ?
C13 P1 C7 C8 93.5(3) . . . . ?
P2 P1 C7 C8 -16.6(3) . . . . ?
C12 C7 C8 C9 -1.1(4) . . . . ?
P1 C7 C8 C9 -179.0(2) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C8 C9 C10 C11 1.1(5) . . . . ?
C9 C10 C11 C12 -0.9(5) . . . . ?
C10 C11 C12 C7 -0.3(5) . . . . ?
C8 C7 C12 C11 1.3(4) . . . . ?
P1 C7 C12 C11 179.3(2) . . . . ?
N1 P1 C13 C14 13.2(3) . . . . ?
C7 P1 C13 C14 138.7(3) . . . . ?
P2 P1 C13 C14 -111.7(3) . . . . ?
N1 P1 C13 C18 -168.8(2) . . . . ?
C7 P1 C13 C18 -43.3(3) . . . . ?
P2 P1 C13 C18 66.2(3) . . . . ?
C18 C13 C14 C15 -0.1(5) . . . . ?
P1 C13 C14 C15 177.9(3) . . . . ?
C13 C14 C15 C16 -0.9(5) . . . . ?
C14 C15 C16 C17 1.5(5) . . . . ?
C15 C16 C17 C18 -1.1(5) . . . . ?
C16 C17 C18 C13 0.1(5) . . . . ?
C14 C13 C18 C17 0.5(5) . . . . ?
P1 C13 C18 C17 -177.5(3) . . . . ?
C25 P2 C19 C20 -7.1(3) . . . . ?
P1 P2 C19 C20 -107.6(3) . . . . ?
C25 P2 C19 C24 174.8(2) . . . . ?
P1 P2 C19 C24 74.3(2) . . . . ?
C24 C19 C20 C21 -1.7(5) . . . . ?
P2 C19 C20 C21 -179.8(3) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C21 C22 C23 2.3(5) . . . . ?
C21 C22 C23 C24 -1.9(5) . . . . ?
C22 C23 C24 C19 -0.4(5) . . . . ?
C20 C19 C24 C23 2.1(5) . . . . ?
P2 C19 C24 C23 -179.6(3) . . . . ?
C19 P2 C25 C30 138.2(2) . . . . ?
P1 P2 C25 C30 -122.4(2) . . . . ?
C19 P2 C25 C26 -45.7(3) . . . . ?
P1 P2 C25 C26 53.7(3) . . . . ?
C30 C25 C26 C27 -0.8(4) . . . . ?
P2 C25 C26 C27 -176.7(2) . . . . ?
C25 C26 C27 C28 1.6(5) . . . . ?
C26 C27 C28 C29 -1.7(5) . . . . ?
C27 C28 C29 C30 1.1(5) . . . . ?
C28 C29 C30 C25 -0.3(4) . . . . ?
C26 C25 C30 C29 0.1(4) . . . . ?
P2 C25 C30 C29 176.5(2) . . . . ?
loop_
_cod_related_entry_id
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_cod_related_entry_code
1 ChemSpider 21146129
