#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:15:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179834 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/30/7013027.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_7013027
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_moiety         'C31 H24 F3 N P2, C H2 Cl2'
_chemical_formula_sum            'C32 H26 Cl2 F3 N P2'
_chemical_formula_weight         614.38
_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                82.05(4)
_cell_angle_beta                 74.46(3)
_cell_angle_gamma                67.64(3)
_cell_formula_units_Z            2
_cell_length_a                   10.087(2)
_cell_length_b                   10.647(5)
_cell_length_c                   15.187(7)
_cell_measurement_reflns_used    1234
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      19.3078
_cell_measurement_theta_min      1.42405
_cell_volume                     1452.0(11)
_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  0.0739
_diffrn_reflns_av_sigmaI/netI    0.0794
_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       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9435
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.377
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_T_min  0.288
_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    1.405
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.682
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         4805
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0748
_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)+(0.1430P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2041
_refine_ls_wR_factor_ref         0.2295
_reflns_number_gt                3330
_reflns_number_total             4805
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303645f.txt
_cod_data_source_block           4f
_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        1452.0(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013027
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 0.27732(10) 0.26235(9) 0.24090(7) 0.0406(3) Uani 1 1 d . . .
P2 P 0.21160(10) 0.12337(9) 0.35521(7) 0.0428(3) Uani 1 1 d . . .
F1 F 0.1020(3) 0.8198(2) 0.1414(2) 0.0685(7) Uani 1 1 d . . .
F2 F 0.2074(3) 0.6158(3) 0.09403(17) 0.0593(6) Uani 1 1 d . . .
F3 F -0.0040(2) 0.6737(2) 0.19063(18) 0.0574(6) Uani 1 1 d . . .
N1 N 0.2089(3) 0.4221(3) 0.2460(2) 0.0444(7) Uani 1 1 d . . .
C1 C 0.2451(4) 0.5131(4) 0.2831(3) 0.0408(8) Uani 1 1 d . . .
C2 C 0.2050(4) 0.6489(4) 0.2470(3) 0.0422(8) Uani 1 1 d . . .
C3 C 0.2321(4) 0.7471(4) 0.2840(3) 0.0500(9) Uani 1 1 d . . .
H3 H 0.2029 0.8379 0.2594 0.060 Uiso 1 1 calc R . .
C4 C 0.3012(4) 0.7142(4) 0.3560(3) 0.0525(10) Uani 1 1 d . . .
H4 H 0.3200 0.7815 0.3805 0.063 Uiso 1 1 calc R . .
C5 C 0.3421(4) 0.5826(4) 0.3915(3) 0.0520(10) Uani 1 1 d . . .
H5 H 0.3881 0.5596 0.4415 0.062 Uiso 1 1 calc R . .
C6 C 0.3169(4) 0.4830(4) 0.3554(3) 0.0454(9) Uani 1 1 d . . .
H6 H 0.3489 0.3924 0.3801 0.054 Uiso 1 1 calc R . .
C7 C 0.4783(4) 0.1929(4) 0.2139(3) 0.0424(8) Uani 1 1 d . . .
C8 C 0.5510(4) 0.2786(4) 0.1655(3) 0.0477(9) Uani 1 1 d . . .
H8 H 0.4955 0.3697 0.1503 0.057 Uiso 1 1 calc R . .
C9 C 0.7051(4) 0.2310(4) 0.1393(3) 0.0547(10) Uani 1 1 d . . .
H9 H 0.7540 0.2892 0.1053 0.066 Uiso 1 1 calc R . .
C10 C 0.7858(5) 0.0996(5) 0.1630(3) 0.0561(10) Uani 1 1 d . . .
H10 H 0.8905 0.0680 0.1468 0.067 Uiso 1 1 calc R . .
C11 C 0.7142(4) 0.0135(4) 0.2104(3) 0.0557(10) Uani 1 1 d . . .
H11 H 0.7705 -0.0777 0.2251 0.067 Uiso 1 1 calc R . .
C12 C 0.5612(4) 0.0587(4) 0.2367(3) 0.0468(9) Uani 1 1 d . . .
H12 H 0.5132 -0.0008 0.2697 0.056 Uiso 1 1 calc R . .
C13 C 0.2192(4) 0.2197(4) 0.1498(3) 0.0451(8) Uani 1 1 d . . .
C14 C 0.2779(4) 0.0880(4) 0.1184(3) 0.0487(9) Uani 1 1 d . . .
H14 H 0.3512 0.0191 0.1443 0.058 Uiso 1 1 calc R . .
C15 C 0.2297(5) 0.0565(5) 0.0490(3) 0.0568(10) Uani 1 1 d . . .
H15 H 0.2704 -0.0332 0.0276 0.068 Uiso 1 1 calc R . .
C16 C 0.1227(5) 0.1567(5) 0.0117(3) 0.0551(10) Uani 1 1 d . . .
H16 H 0.0896 0.1351 -0.0352 0.066 Uiso 1 1 calc R . .
C17 C 0.0628(4) 0.2887(5) 0.0419(3) 0.0532(10) Uani 1 1 d . . .
H17 H -0.0106 0.3568 0.0157 0.064 Uiso 1 1 calc R . .
C18 C 0.1109(4) 0.3207(4) 0.1107(3) 0.0483(9) Uani 1 1 d . . .
H18 H 0.0705 0.4109 0.1313 0.058 Uiso 1 1 calc R . .
C19 C 0.2242(4) 0.1994(4) 0.4524(3) 0.0421(8) Uani 1 1 d . . .
C20 C 0.3631(4) 0.1551(4) 0.4738(3) 0.0453(8) Uani 1 1 d . . .
H20 H 0.4451 0.0883 0.4380 0.054 Uiso 1 1 calc R . .
C21 C 0.3818(4) 0.2079(4) 0.5468(3) 0.0488(9) Uani 1 1 d . . .
H21 H 0.4766 0.1795 0.5592 0.059 Uiso 1 1 calc R . .
C22 C 0.2621(5) 0.3016(4) 0.6010(3) 0.0552(10) Uani 1 1 d . . .
H22 H 0.2747 0.3368 0.6511 0.066 Uiso 1 1 calc R . .
C23 C 0.1234(4) 0.3445(4) 0.5827(3) 0.0524(10) Uani 1 1 d . . .
H23 H 0.0416 0.4086 0.6206 0.063 Uiso 1 1 calc R . .
C24 C 0.1037(4) 0.2942(4) 0.5092(3) 0.0476(9) Uani 1 1 d . . .
H24 H 0.0084 0.3240 0.4973 0.057 Uiso 1 1 calc R . .
C25 C 0.0123(4) 0.1778(4) 0.3630(3) 0.0415(8) Uani 1 1 d . . .
C26 C -0.0467(4) 0.0750(4) 0.3903(3) 0.0484(9) Uani 1 1 d . . .
H26 H 0.0154 -0.0147 0.4032 0.058 Uiso 1 1 calc R . .
C27 C -0.1971(5) 0.1043(5) 0.3986(3) 0.0576(11) Uani 1 1 d . . .
H27 H -0.2372 0.0346 0.4170 0.069 Uiso 1 1 calc R . .
C28 C -0.2858(5) 0.2336(5) 0.3799(3) 0.0553(10) Uani 1 1 d . . .
H28 H -0.3878 0.2532 0.3857 0.066 Uiso 1 1 calc R . .
C29 C -0.2298(4) 0.3360(4) 0.3530(3) 0.0518(10) Uani 1 1 d . . .
H29 H -0.2930 0.4255 0.3405 0.062 Uiso 1 1 calc R . .
C30 C -0.0796(4) 0.3081(4) 0.3440(3) 0.0479(9) Uani 1 1 d . . .
H30 H -0.0407 0.3785 0.3249 0.057 Uiso 1 1 calc R . .
C31 C 0.1281(5) 0.6886(4) 0.1696(3) 0.0515(10) Uani 1 1 d . . .
Cl1A Cl 0.2703(2) 0.4212(2) -0.16275(13) 0.0790(7) Uani 0.763(5) 1 d PD A 1
Cl2A Cl 0.4811(5) 0.3217(6) -0.0493(3) 0.130(2) Uani 0.763(5) 1 d PD A 1
C32A C 0.4122(7) 0.2830(7) -0.1265(6) 0.077(2) Uani 0.763(5) 1 d PD A 1
H32A H 0.3735 0.2100 -0.0998 0.092 Uiso 0.763(5) 1 calc PR A 1
H32B H 0.4933 0.2469 -0.1806 0.092 Uiso 0.763(5) 1 calc PR A 1
Cl1B Cl 0.3653(11) 0.2690(11) -0.1809(5) 0.119(4) Uani 0.237(5) 1 d PD A 2
Cl2B Cl 0.4464(17) 0.3787(16) -0.0467(9) 0.109(6) Uani 0.237(5) 1 d PD A 2
C32B C 0.385(4) 0.409(2) -0.1468(16) 0.121(13) Uani 0.237(5) 1 d PD A 2
H32C H 0.2882 0.4848 -0.1377 0.145 Uiso 0.237(5) 1 calc PR A 2
H32D H 0.4550 0.4375 -0.1964 0.145 Uiso 0.237(5) 1 calc PR A 2
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'
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
N1 P1 C13 106.76(18) . . ?
N1 P1 C7 113.98(17) . . ?
C13 P1 C7 107.47(18) . . ?
N1 P1 P2 122.49(14) . . ?
C13 P1 P2 100.60(13) . . ?
C7 P1 P2 104.03(13) . . ?
C19 P2 C25 104.80(17) . . ?
C19 P2 P1 99.70(13) . . ?
C25 P2 P1 101.46(13) . . ?
C1 N1 P1 132.2(3) . . ?
N1 C1 C6 125.5(3) . . ?
N1 C1 C2 118.0(3) . . ?
C6 C1 C2 116.5(3) . . ?
C3 C2 C1 120.9(4) . . ?
C3 C2 C31 119.5(3) . . ?
C1 C2 C31 119.5(3) . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 121.6(4) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C8 C7 C12 119.4(3) . . ?
C8 C7 P1 117.0(3) . . ?
C12 C7 P1 123.6(3) . . ?
C7 C8 C9 120.3(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0(4) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.9(4) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C7 119.4(4) . . ?
C11 C12 H12 120.3 . . ?
C7 C12 H12 120.3 . . ?
C14 C13 C18 119.2(4) . . ?
C14 C13 P1 121.4(3) . . ?
C18 C13 P1 119.4(3) . . ?
C13 C14 C15 120.5(4) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.8(4) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C18 119.8(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 120.1(4) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C24 C19 C20 118.1(4) . . ?
C24 C19 P2 124.5(3) . . ?
C20 C19 P2 117.4(3) . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 119.9(4) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.4(4) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C24 120.3(4) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.4(4) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C30 C25 C26 119.2(3) . . ?
C30 C25 P2 125.8(3) . . ?
C26 C25 P2 115.0(3) . . ?
C25 C26 C27 120.1(4) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 121.0(4) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.0(4) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
F1 C31 F3 105.9(3) . . ?
F1 C31 F2 105.3(3) . . ?
F3 C31 F2 105.7(3) . . ?
F1 C31 C2 112.1(3) . . ?
F3 C31 C2 113.9(3) . . ?
F2 C31 C2 113.2(3) . . ?
Cl2A C32A Cl1A 114.2(5) . . ?
Cl2A C32A H32A 108.7 . . ?
Cl1A C32A H32A 108.7 . . ?
Cl2A C32A H32B 108.7 . . ?
Cl1A C32A H32B 108.7 . . ?
H32A C32A H32B 107.6 . . ?
Cl1B C32B Cl2B 113.8(13) . . ?
Cl1B C32B H32C 108.8 . . ?
Cl2B C32B H32C 108.8 . . ?
Cl1B C32B H32D 108.8 . . ?
Cl2B C32B H32D 108.8 . . ?
H32C C32B H32D 107.7 . . ?
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 1.578(3) . ?
P1 C13 1.809(4) . ?
P1 C7 1.823(4) . ?
P1 P2 2.2498(18) . ?
P2 C19 1.833(4) . ?
P2 C25 1.843(4) . ?
F1 C31 1.349(5) . ?
F2 C31 1.357(5) . ?
F3 C31 1.349(5) . ?
N1 C1 1.385(5) . ?
C1 C6 1.410(5) . ?
C1 C2 1.417(5) . ?
C2 C3 1.395(5) . ?
C2 C31 1.505(6) . ?
C3 C4 1.386(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.394(5) . ?
C7 C12 1.404(5) . ?
C8 C9 1.399(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.395(5) . ?
C13 C18 1.407(5) . ?
C14 C15 1.398(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.381(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(6) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.410(5) . ?
C19 C20 1.411(5) . ?
C20 C21 1.395(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(6) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.386(5) . ?
C25 C26 1.400(5) . ?
C26 C27 1.402(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.366(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.377(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.400(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
Cl1A C32A 1.764(7) . ?
Cl2A C32A 1.678(9) . ?
C32A H32A 0.9900 . ?
C32A H32B 0.9900 . ?
Cl1B C32B 1.734(16) . ?
Cl2B C32B 1.738(19) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
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 C19 -47.62(19) . . . . ?
C13 P1 P2 C19 -165.45(17) . . . . ?
C7 P1 P2 C19 83.35(18) . . . . ?
N1 P1 P2 C25 59.78(19) . . . . ?
C13 P1 P2 C25 -58.06(18) . . . . ?
C7 P1 P2 C25 -169.25(17) . . . . ?
C13 P1 N1 C1 -160.0(4) . . . . ?
C7 P1 N1 C1 -41.5(4) . . . . ?
P2 P1 N1 C1 85.2(4) . . . . ?
P1 N1 C1 C6 -25.9(6) . . . . ?
P1 N1 C1 C2 155.3(3) . . . . ?
N1 C1 C2 C3 177.1(3) . . . . ?
C6 C1 C2 C3 -1.9(5) . . . . ?
N1 C1 C2 C31 -1.1(5) . . . . ?
C6 C1 C2 C31 179.9(3) . . . . ?
C1 C2 C3 C4 1.0(6) . . . . ?
C31 C2 C3 C4 179.2(4) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 C6 0.9(6) . . . . ?
C4 C5 C6 C1 -1.9(6) . . . . ?
N1 C1 C6 C5 -176.6(4) . . . . ?
C2 C1 C6 C5 2.3(6) . . . . ?
N1 P1 C7 C8 -25.4(4) . . . . ?
C13 P1 C7 C8 92.7(3) . . . . ?
P2 P1 C7 C8 -161.2(3) . . . . ?
N1 P1 C7 C12 156.6(3) . . . . ?
C13 P1 C7 C12 -85.3(4) . . . . ?
P2 P1 C7 C12 20.8(4) . . . . ?
C12 C7 C8 C9 0.5(6) . . . . ?
P1 C7 C8 C9 -177.6(3) . . . . ?
C7 C8 C9 C10 -1.3(6) . . . . ?
C8 C9 C10 C11 1.9(7) . . . . ?
C9 C10 C11 C12 -1.6(7) . . . . ?
C10 C11 C12 C7 0.7(6) . . . . ?
C8 C7 C12 C11 -0.2(6) . . . . ?
P1 C7 C12 C11 177.8(3) . . . . ?
N1 P1 C13 C14 170.6(3) . . . . ?
C7 P1 C13 C14 48.0(4) . . . . ?
P2 P1 C13 C14 -60.5(3) . . . . ?
N1 P1 C13 C18 -10.4(4) . . . . ?
C7 P1 C13 C18 -133.1(3) . . . . ?
P2 P1 C13 C18 118.4(3) . . . . ?
C18 C13 C14 C15 -0.1(6) . . . . ?
P1 C13 C14 C15 178.9(3) . . . . ?
C13 C14 C15 C16 -0.3(6) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C15 C16 C17 C18 -0.1(6) . . . . ?
C16 C17 C18 C13 -0.3(6) . . . . ?
C14 C13 C18 C17 0.3(6) . . . . ?
P1 C13 C18 C17 -178.7(3) . . . . ?
C25 P2 C19 C24 -8.4(4) . . . . ?
P1 P2 C19 C24 96.3(3) . . . . ?
C25 P2 C19 C20 168.8(3) . . . . ?
P1 P2 C19 C20 -86.5(3) . . . . ?
C24 C19 C20 C21 -2.6(5) . . . . ?
P2 C19 C20 C21 -180.0(3) . . . . ?
C19 C20 C21 C22 2.1(6) . . . . ?
C20 C21 C22 C23 -0.6(6) . . . . ?
C21 C22 C23 C24 -0.4(7) . . . . ?
C22 C23 C24 C19 -0.1(6) . . . . ?
C20 C19 C24 C23 1.6(6) . . . . ?
P2 C19 C24 C23 178.7(3) . . . . ?
C19 P2 C25 C30 72.0(4) . . . . ?
P1 P2 C25 C30 -31.3(4) . . . . ?
C19 P2 C25 C26 -108.3(3) . . . . ?
P1 P2 C25 C26 148.3(3) . . . . ?
C30 C25 C26 C27 -0.3(6) . . . . ?
P2 C25 C26 C27 -180.0(3) . . . . ?
C25 C26 C27 C28 0.0(7) . . . . ?
C26 C27 C28 C29 0.1(7) . . . . ?
C27 C28 C29 C30 0.2(7) . . . . ?
C26 C25 C30 C29 0.6(6) . . . . ?
P2 C25 C30 C29 -179.8(3) . . . . ?
C28 C29 C30 C25 -0.6(6) . . . . ?
C3 C2 C31 F1 3.8(5) . . . . ?
C1 C2 C31 F1 -178.0(3) . . . . ?
C3 C2 C31 F3 -116.4(4) . . . . ?
C1 C2 C31 F3 61.8(5) . . . . ?
C3 C2 C31 F2 122.8(4) . . . . ?
C1 C2 C31 F2 -59.0(5) . . . . ?
