#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/41/7004133.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_7004133
loop_
_publ_author_name
'Jiang, Xin-Dong'
'Matsukawa, Shiro'
'Yamamoto, Yohsuke'
_publ_section_title
;
 Synthesis, structure and isomerization of arylphosphoranes with
 anti-apicophilic bonding modes using a novel bidentate ligand with two
 C2F5 groups
;
_journal_issue                   28
_journal_name_full               'Dalton Transactions'
_journal_page_first              3678
_journal_page_last               3687
_journal_paper_doi               10.1039/b802947d
_journal_year                    2008
_chemical_formula_sum            'C29 H15 F20 O3 P'
_chemical_formula_weight         822.38
_chemical_melting_point          117
_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                 101.8580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8670(2)
_cell_length_b                   17.2000(3)
_cell_length_c                   18.8740(3)
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.6
_cell_volume                     3134.80(10)
_computing_cell_refinement       'HKL(Otwinowski, 1997)'
_computing_data_collection       'HKL(Otwinowski, 1997)'
_computing_data_reduction        'HKL(Otwinowski, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'MacScience DIP2030 Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0169
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7443
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.240
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0973P)²+1.0257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1443
_refine_ls_wR_factor_ref         0.1689
_reflns_number_gt                6481
_reflns_number_total             7443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802947d.txt
_cod_data_source_block           compound13d
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7004133
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
C1 C 0.22167(19) 0.06271(11) 0.65037(10) 0.0361(4) Uani 1 1 d . . .
C2 C 0.2339(2) -0.01738(13) 0.66069(13) 0.0475(5) Uani 1 1 d . . .
H2A H 0.2018 -0.0410 0.6984 0.057 Uiso 1 1 calc R . .
C3 C 0.2949(3) -0.06153(16) 0.61389(15) 0.0596(6) Uani 1 1 d . . .
H3A H 0.3039 -0.1150 0.6205 0.072 Uiso 1 1 calc R . .
C4 C 0.3422(3) -0.02642(19) 0.55764(16) 0.0685(8) Uani 1 1 d . . .
H4A H 0.3825 -0.0566 0.5267 0.082 Uiso 1 1 calc R . .
C5 C 0.3301(3) 0.05273(18) 0.54696(14) 0.0614(7) Uani 1 1 d . . .
H5A H 0.3617 0.0761 0.5090 0.074 Uiso 1 1 calc R . .
C6 C 0.2700(2) 0.09699(14) 0.59378(11) 0.0432(4) Uani 1 1 d . . .
C7 C 0.2474(2) 0.18433(13) 0.59060(10) 0.0406(4) Uani 1 1 d . . .
C8 C 0.1492(2) 0.21078(17) 0.51941(11) 0.0535(6) Uani 1 1 d . . .
C9 C 0.0162(3) 0.16257(19) 0.49333(13) 0.0614(7) Uani 1 1 d . . .
C10 C 0.3904(2) 0.22690(16) 0.60280(13) 0.0522(6) Uani 1 1 d . . .
C11 C 0.3956(3) 0.31635(19) 0.60477(18) 0.0695(8) Uani 1 1 d . . .
C12 C 0.00165(17) 0.18276(10) 0.71904(9) 0.0298(3) Uani 1 1 d . . .
C13 C -0.04471(19) 0.25533(11) 0.69192(11) 0.0375(4) Uani 1 1 d . . .
H13A H 0.0025 0.2821 0.6616 0.045 Uiso 1 1 calc R . .
C14 C -0.1616(2) 0.28744(13) 0.71026(13) 0.0456(5) Uani 1 1 d . . .
H14A H -0.1925 0.3361 0.6923 0.055 Uiso 1 1 calc R . .
C15 C -0.2328(2) 0.24769(13) 0.75511(13) 0.0467(5) Uani 1 1 d . . .
H15A H -0.3111 0.2699 0.7671 0.056 Uiso 1 1 calc R . .
C16 C -0.1883(2) 0.17562(13) 0.78208(12) 0.0443(5) Uani 1 1 d . . .
H16A H -0.2361 0.1488 0.8121 0.053 Uiso 1 1 calc R . .
C17 C -0.07107(19) 0.14365(10) 0.76375(10) 0.0334(4) Uani 1 1 d . . .
C18 C -0.0081(2) 0.06531(10) 0.78754(10) 0.0359(4) Uani 1 1 d . . .
C19 C -0.1100(3) -0.00198(12) 0.75952(14) 0.0500(5) Uani 1 1 d . . .
C20 C -0.1854(3) 0.00141(16) 0.67916(17) 0.0638(7) Uani 1 1 d . . .
C21 C 0.0406(3) 0.06494(12) 0.87203(11) 0.0449(5) Uani 1 1 d . . .
C22 C 0.1173(3) -0.00633(15) 0.91086(13) 0.0580(6) Uani 1 1 d . . .
C23 C 0.30328(18) 0.16379(10) 0.78061(9) 0.0315(3) Uani 1 1 d . . .
C24 C 0.3982(2) 0.11012(12) 0.81618(11) 0.0392(4) Uani 1 1 d . . .
H24A H 0.3886 0.0579 0.8034 0.047 Uiso 1 1 calc R . .
C25 C 0.5077(2) 0.13361(13) 0.87091(11) 0.0426(4) Uani 1 1 d . . .
H25A H 0.5714 0.0973 0.8942 0.051 Uiso 1 1 calc R . .
C26 C 0.52137(19) 0.21104(13) 0.89052(10) 0.0393(4) Uani 1 1 d . . .
C27 C 0.4274(2) 0.26510(12) 0.85502(12) 0.0431(4) Uani 1 1 d . . .
H27A H 0.4370 0.3173 0.8681 0.052 Uiso 1 1 calc R . .
C28 C 0.3195(2) 0.24181(11) 0.80021(11) 0.0386(4) Uani 1 1 d . . .
H28A H 0.2573 0.2785 0.7763 0.046 Uiso 1 1 calc R . .
C29 C 0.7092(3) 0.1869(2) 0.98975(14) 0.0644(7) Uani 1 1 d . . .
H29A H 0.6520 0.1494 1.0073 0.097 Uiso 1 1 calc R . .
H29B H 0.7640 0.2144 1.0299 0.097 Uiso 1 1 calc R . .
H29C H 0.7691 0.1608 0.9633 0.097 Uiso 1 1 calc R . .
O1 O 0.18471(13) 0.20461(8) 0.64771(7) 0.0350(3) Uani 1 1 d . . .
O2 O 0.10813(14) 0.05572(7) 0.75773(7) 0.0337(3) Uani 1 1 d . . .
O3 O 0.62379(17) 0.24059(11) 0.94332(9) 0.0556(4) Uani 1 1 d . . .
P1 P 0.16125(4) 0.13333(2) 0.70976(2) 0.02816(13) Uani 1 1 d . . .
F1 F 0.21678(19) 0.20975(14) 0.46413(8) 0.0844(6) Uani 1 1 d . . .
F2 F 0.10638(17) 0.28425(10) 0.52721(8) 0.0644(4) Uani 1 1 d . . .
F3 F -0.05654(17) 0.15676(12) 0.54351(9) 0.0747(5) Uani 1 1 d . . .
F4 F 0.0423(2) 0.09228(14) 0.47257(12) 0.1008(7) Uani 1 1 d . . .
F5 F -0.0615(2) 0.19859(15) 0.43714(10) 0.0937(6) Uani 1 1 d . . .
F6 F 0.46273(16) 0.20523(12) 0.55255(9) 0.0763(5) Uani 1 1 d . . .
F7 F 0.46322(13) 0.20243(10) 0.66736(8) 0.0606(4) Uani 1 1 d . . .
F8 F 0.3164(2) 0.34656(11) 0.64543(13) 0.0905(6) Uani 1 1 d . . .
F9 F 0.3599(2) 0.34579(14) 0.53865(12) 0.0987(7) Uani 1 1 d . . .
F10 F 0.5254(2) 0.33951(14) 0.63075(14) 0.0996(7) Uani 1 1 d . . .
F11 F -0.20981(19) -0.00690(11) 0.79868(11) 0.0794(5) Uani 1 1 d . . .
F12 F -0.04072(19) -0.06991(8) 0.76681(10) 0.0723(5) Uani 1 1 d . . .
F13 F -0.1017(2) 0.01658(14) 0.63552(9) 0.0878(6) Uani 1 1 d . . .
F14 F -0.2828(2) 0.05528(13) 0.66808(14) 0.1018(7) Uani 1 1 d . . .
F15 F -0.2483(3) -0.06530(12) 0.66016(14) 0.1072(8) Uani 1 1 d . . .
F16 F -0.06695(18) 0.07773(9) 0.90471(8) 0.0664(4) Uani 1 1 d . . .
F17 F 0.12860(16) 0.12535(8) 0.88875(7) 0.0531(3) Uani 1 1 d . . .
F18 F 0.2202(2) -0.02950(10) 0.88108(9) 0.0733(5) Uani 1 1 d . . .
F19 F 0.0332(2) -0.06567(10) 0.91124(11) 0.0865(6) Uani 1 1 d . . .
F20 F 0.1686(3) 0.01165(12) 0.97918(9) 0.0867(6) 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'
O O 0.0106 0.0060 '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
C6 C1 C2 119.61(18) . . ?
C6 C1 P1 113.30(15) . . ?
C2 C1 P1 126.83(15) . . ?
C3 C2 C1 119.2(2) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C5 C4 C3 120.7(2) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
C4 C5 C6 119.0(2) . . ?
C4 C5 H5A 120.5 . . ?
C6 C5 H5A 120.5 . . ?
C1 C6 C5 121.1(2) . . ?
C1 C6 C7 112.32(16) . . ?
C5 C6 C7 126.6(2) . . ?
O1 C7 C6 107.60(15) . . ?
O1 C7 C8 107.38(16) . . ?
C6 C7 C8 112.61(19) . . ?
O1 C7 C10 107.42(18) . . ?
C6 C7 C10 109.65(17) . . ?
C8 C7 C10 111.93(17) . . ?
F1 C8 F2 108.2(2) . . ?
F1 C8 C9 105.6(2) . . ?
F2 C8 C9 105.9(2) . . ?
F1 C8 C7 110.20(18) . . ?
F2 C8 C7 109.5(2) . . ?
C9 C8 C7 117.1(2) . . ?
F3 C9 F4 108.5(3) . . ?
F3 C9 F5 107.6(2) . . ?
F4 C9 F5 107.9(2) . . ?
F3 C9 C8 111.6(2) . . ?
F4 C9 C8 112.6(2) . . ?
F5 C9 C8 108.5(3) . . ?
F7 C10 F6 106.72(19) . . ?
F7 C10 C11 106.3(2) . . ?
F6 C10 C11 105.8(2) . . ?
F7 C10 C7 106.50(16) . . ?
F6 C10 C7 111.0(2) . . ?
C11 C10 C7 119.7(2) . . ?
F8 C11 F9 109.0(3) . . ?
F8 C11 F10 108.0(3) . . ?
F9 C11 F10 106.3(2) . . ?
F8 C11 C10 112.9(2) . . ?
F9 C11 C10 111.0(3) . . ?
F10 C11 C10 109.4(2) . . ?
C17 C12 C13 119.12(16) . . ?
C17 C12 P1 113.30(13) . . ?
C13 C12 P1 127.34(13) . . ?
C14 C13 C12 119.59(17) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C13 C14 C15 120.55(19) . . ?
C13 C14 H14A 119.7 . . ?
C15 C14 H14A 119.7 . . ?
C16 C15 C14 120.45(18) . . ?
C16 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C15 C16 C17 118.88(18) . . ?
C15 C16 H16A 120.6 . . ?
C17 C16 H16A 120.6 . . ?
C16 C17 C12 121.41(17) . . ?
C16 C17 C18 126.26(17) . . ?
C12 C17 C18 112.33(15) . . ?
O2 C18 C17 107.99(14) . . ?
O2 C18 C19 107.72(15) . . ?
C17 C18 C19 111.42(17) . . ?
O2 C18 C21 107.80(16) . . ?
C17 C18 C21 109.09(15) . . ?
C19 C18 C21 112.65(16) . . ?
F12 C19 F11 107.56(19) . . ?
F12 C19 C20 105.4(2) . . ?
F11 C19 C20 106.3(2) . . ?
F12 C19 C18 109.44(19) . . ?
F11 C19 C18 110.74(19) . . ?
C20 C19 C18 116.95(18) . . ?
F13 C20 F15 109.0(3) . . ?
F13 C20 F14 107.1(3) . . ?
F15 C20 F14 106.4(2) . . ?
F13 C20 C19 112.7(2) . . ?
F15 C20 C19 109.8(2) . . ?
F14 C20 C19 111.7(2) . . ?
F17 C21 F16 107.21(17) . . ?
F17 C21 C22 105.8(2) . . ?
F16 C21 C22 105.47(17) . . ?
F17 C21 C18 106.43(15) . . ?
F16 C21 C18 110.99(19) . . ?
C22 C21 C18 120.26(18) . . ?
F19 C22 F18 108.0(2) . . ?
F19 C22 F20 106.9(2) . . ?
F18 C22 F20 108.2(3) . . ?
F19 C22 C21 111.7(2) . . ?
F18 C22 C21 112.49(18) . . ?
F20 C22 C21 109.2(2) . . ?
C24 C23 C28 118.93(17) . . ?
C24 C23 P1 120.66(14) . . ?
C28 C23 P1 120.41(14) . . ?
C23 C24 C25 120.67(19) . . ?
C23 C24 H24A 119.7 . . ?
C25 C24 H24A 119.7 . . ?
C26 C25 C24 119.76(18) . . ?
C26 C25 H25A 120.1 . . ?
C24 C25 H25A 120.1 . . ?
O3 C26 C25 124.89(19) . . ?
O3 C26 C27 115.17(19) . . ?
C25 C26 C27 119.94(18) . . ?
C28 C27 C26 120.23(19) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C23 120.46(18) . . ?
C27 C28 H28A 119.8 . . ?
C23 C28 H28A 119.8 . . ?
O3 C29 H29A 109.5 . . ?
O3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C7 O1 P1 119.02(12) . . ?
C18 O2 P1 118.61(11) . . ?
C26 O3 C29 117.7(2) . . ?
O1 P1 O2 167.89(7) . . ?
O1 P1 C23 95.94(7) . . ?
O2 P1 C23 96.17(7) . . ?
O1 P1 C12 88.47(7) . . ?
O2 P1 C12 87.12(7) . . ?
C23 P1 C12 110.29(8) . . ?
O1 P1 C1 87.16(8) . . ?
O2 P1 C1 88.89(8) . . ?
C23 P1 C1 110.17(8) . . ?
C12 P1 C1 139.54(8) . . ?
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
C1 C6 1.387(3) . ?
C1 C2 1.393(3) . ?
C1 P1 1.8335(18) . ?
C2 C3 1.392(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.383(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.378(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.388(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.518(3) . ?
C7 O1 1.393(2) . ?
C7 C8 1.554(3) . ?
C7 C10 1.564(3) . ?
C8 F1 1.349(2) . ?
C8 F2 1.350(3) . ?
C8 C9 1.545(4) . ?
C9 F3 1.305(3) . ?
C9 F4 1.313(4) . ?
C9 F5 1.328(3) . ?
C10 F7 1.349(3) . ?
C10 F6 1.351(3) . ?
C10 C11 1.540(4) . ?
C11 F8 1.310(4) . ?
C11 F9 1.326(4) . ?
C11 F10 1.335(3) . ?
C12 C17 1.388(2) . ?
C12 C13 1.390(2) . ?
C12 P1 1.8294(17) . ?
C13 C14 1.385(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.386(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.377(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.388(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.513(3) . ?
C18 O2 1.387(2) . ?
C18 C19 1.553(3) . ?
C18 C21 1.568(3) . ?
C19 F12 1.346(3) . ?
C19 F11 1.350(3) . ?
C19 C20 1.547(4) . ?
C20 F13 1.307(4) . ?
C20 F15 1.318(3) . ?
C20 F14 1.320(4) . ?
C21 F17 1.349(3) . ?
C21 F16 1.351(2) . ?
C21 C22 1.544(3) . ?
C22 F19 1.316(3) . ?
C22 F18 1.319(3) . ?
C22 F20 1.321(3) . ?
C23 C24 1.386(3) . ?
C23 C28 1.393(3) . ?
C23 P1 1.8045(18) . ?
C24 C25 1.393(3) . ?
C24 H24A 0.9300 . ?
C25 C26 1.381(3) . ?
C25 H25A 0.9300 . ?
C26 O3 1.363(2) . ?
C26 C27 1.385(3) . ?
C27 C28 1.383(3) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 O3 1.423(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
O1 P1 1.7435(13) . ?
O2 P1 1.7526(13) . ?
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
C6 C1 C2 C3 0.1(3) . . . . ?
P1 C1 C2 C3 -173.57(18) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C3 C4 C5 C6 0.2(4) . . . . ?
C2 C1 C6 C5 0.2(3) . . . . ?
P1 C1 C6 C5 174.73(19) . . . . ?
C2 C1 C6 C7 179.69(19) . . . . ?
P1 C1 C6 C7 -5.8(2) . . . . ?
C4 C5 C6 C1 -0.4(4) . . . . ?
C4 C5 C6 C7 -179.8(2) . . . . ?
C1 C6 C7 O1 0.8(2) . . . . ?
C5 C6 C7 O1 -179.8(2) . . . . ?
C1 C6 C7 C8 -117.33(19) . . . . ?
C5 C6 C7 C8 62.1(3) . . . . ?
C1 C6 C7 C10 117.35(19) . . . . ?
C5 C6 C7 C10 -63.2(3) . . . . ?
O1 C7 C8 F1 165.6(2) . . . . ?
C6 C7 C8 F1 -76.2(3) . . . . ?
C10 C7 C8 F1 47.9(3) . . . . ?
O1 C7 C8 F2 46.7(2) . . . . ?
C6 C7 C8 F2 164.98(17) . . . . ?
C10 C7 C8 F2 -70.9(2) . . . . ?
O1 C7 C8 C9 -73.7(3) . . . . ?
C6 C7 C8 C9 44.5(3) . . . . ?
C10 C7 C8 C9 168.6(2) . . . . ?
F1 C8 C9 F3 177.7(2) . . . . ?
F2 C8 C9 F3 -67.7(3) . . . . ?
C7 C8 C9 F3 54.6(3) . . . . ?
F1 C8 C9 F4 55.4(3) . . . . ?
F2 C8 C9 F4 170.0(2) . . . . ?
C7 C8 C9 F4 -67.7(3) . . . . ?
F1 C8 C9 F5 -64.0(3) . . . . ?
F2 C8 C9 F5 50.6(3) . . . . ?
C7 C8 C9 F5 172.9(2) . . . . ?
O1 C7 C10 F7 59.3(2) . . . . ?
C6 C7 C10 F7 -57.4(2) . . . . ?
C8 C7 C10 F7 176.92(19) . . . . ?
O1 C7 C10 F6 175.08(17) . . . . ?
C6 C7 C10 F6 58.4(2) . . . . ?
C8 C7 C10 F6 -67.3(3) . . . . ?
O1 C7 C10 C11 -61.2(3) . . . . ?
C6 C7 C10 C11 -177.8(2) . . . . ?
C8 C7 C10 C11 56.5(3) . . . . ?
F7 C10 C11 F8 -74.0(3) . . . . ?
F6 C10 C11 F8 172.8(2) . . . . ?
C7 C10 C11 F8 46.6(3) . . . . ?
F7 C10 C11 F9 163.3(2) . . . . ?
F6 C10 C11 F9 50.1(3) . . . . ?
C7 C10 C11 F9 -76.1(3) . . . . ?
F7 C10 C11 F10 46.3(3) . . . . ?
F6 C10 C11 F10 -66.9(3) . . . . ?
C7 C10 C11 F10 166.9(2) . . . . ?
C17 C12 C13 C14 0.4(3) . . . . ?
P1 C12 C13 C14 -173.51(16) . . . . ?
C12 C13 C14 C15 -0.3(3) . . . . ?
C13 C14 C15 C16 0.0(4) . . . . ?
C14 C15 C16 C17 0.2(3) . . . . ?
C15 C16 C17 C12 0.0(3) . . . . ?
C15 C16 C17 C18 -179.4(2) . . . . ?
C13 C12 C17 C16 -0.3(3) . . . . ?
P1 C12 C17 C16 174.46(16) . . . . ?
C13 C12 C17 C18 179.18(17) . . . . ?
P1 C12 C17 C18 -6.1(2) . . . . ?
C16 C17 C18 O2 -179.70(19) . . . . ?
C12 C17 C18 O2 0.8(2) . . . . ?
C16 C17 C18 C19 62.2(3) . . . . ?
C12 C17 C18 C19 -117.27(18) . . . . ?
C16 C17 C18 C21 -62.8(3) . . . . ?
C12 C17 C18 C21 117.74(18) . . . . ?
O2 C18 C19 F12 47.4(2) . . . . ?
C17 C18 C19 F12 165.71(17) . . . . ?
C21 C18 C19 F12 -71.3(2) . . . . ?
O2 C18 C19 F11 165.85(18) . . . . ?
C17 C18 C19 F11 -75.9(2) . . . . ?
C21 C18 C19 F11 47.1(3) . . . . ?
O2 C18 C19 C20 -72.2(2) . . . . ?
C17 C18 C19 C20 46.1(3) . . . . ?
C21 C18 C19 C20 169.0(2) . . . . ?
F12 C19 C20 F13 -74.5(3) . . . . ?
F11 C19 C20 F13 171.5(2) . . . . ?
C18 C19 C20 F13 47.3(3) . . . . ?
F12 C19 C20 F15 47.2(3) . . . . ?
F11 C19 C20 F15 -66.8(3) . . . . ?
C18 C19 C20 F15 169.0(2) . . . . ?
F12 C19 C20 F14 164.9(2) . . . . ?
F11 C19 C20 F14 50.9(3) . . . . ?
C18 C19 C20 F14 -73.3(3) . . . . ?
O2 C18 C21 F17 60.79(19) . . . . ?
C17 C18 C21 F17 -56.2(2) . . . . ?
C19 C18 C21 F17 179.49(17) . . . . ?
O2 C18 C21 F16 177.11(15) . . . . ?
C17 C18 C21 F16 60.1(2) . . . . ?
C19 C18 C21 F16 -64.2(2) . . . . ?
O2 C18 C21 C22 -59.2(2) . . . . ?
C17 C18 C21 C22 -176.22(19) . . . . ?
C19 C18 C21 C22 59.5(3) . . . . ?
F17 C21 C22 F19 167.06(19) . . . . ?
F16 C21 C22 F19 53.7(3) . . . . ?
C18 C21 C22 F19 -72.6(3) . . . . ?
F17 C21 C22 F18 -71.2(2) . . . . ?
F16 C21 C22 F18 175.4(2) . . . . ?
C18 C21 C22 F18 49.1(3) . . . . ?
F17 C21 C22 F20 48.9(3) . . . . ?
F16 C21 C22 F20 -64.5(3) . . . . ?
C18 C21 C22 F20 169.3(2) . . . . ?
C28 C23 C24 C25 0.3(3) . . . . ?
P1 C23 C24 C25 -179.94(15) . . . . ?
C23 C24 C25 C26 0.6(3) . . . . ?
C24 C25 C26 O3 179.74(19) . . . . ?
C24 C25 C26 C27 -1.0(3) . . . . ?
O3 C26 C27 C28 179.70(19) . . . . ?
C25 C26 C27 C28 0.3(3) . . . . ?
C26 C27 C28 C23 0.6(3) . . . . ?
C24 C23 C28 C27 -0.9(3) . . . . ?
P1 C23 C28 C27 179.30(16) . . . . ?
C6 C7 O1 P1 5.0(2) . . . . ?
C8 C7 O1 P1 126.50(16) . . . . ?
C10 C7 O1 P1 -112.95(16) . . . . ?
C17 C18 O2 P1 5.20(19) . . . . ?
C19 C18 O2 P1 125.65(15) . . . . ?
C21 C18 O2 P1 -112.54(14) . . . . ?
C25 C26 O3 C29 -11.0(3) . . . . ?
C27 C26 O3 C29 169.6(2) . . . . ?
C7 O1 P1 O2 -78.1(3) . . . . ?
C7 O1 P1 C23 102.98(14) . . . . ?
C7 O1 P1 C12 -146.77(14) . . . . ?
C7 O1 P1 C1 -7.01(14) . . . . ?
C18 O2 P1 O1 -76.0(3) . . . . ?
C18 O2 P1 C23 102.86(14) . . . . ?
C18 O2 P1 C12 -7.25(14) . . . . ?
C18 O2 P1 C1 -146.97(14) . . . . ?
C24 C23 P1 O1 -131.89(15) . . . . ?
C28 C23 P1 O1 47.87(16) . . . . ?
C24 C23 P1 O2 48.34(16) . . . . ?
C28 C23 P1 O2 -131.90(15) . . . . ?
C24 C23 P1 C12 137.55(15) . . . . ?
C28 C23 P1 C12 -42.69(17) . . . . ?
C24 C23 P1 C1 -42.74(17) . . . . ?
C28 C23 P1 C1 137.02(15) . . . . ?
C17 C12 P1 O1 176.04(14) . . . . ?
C13 C12 P1 O1 -9.72(17) . . . . ?
C17 C12 P1 O2 7.33(14) . . . . ?
C13 C12 P1 O2 -178.44(17) . . . . ?
C17 C12 P1 C23 -88.19(15) . . . . ?
C13 C12 P1 C23 86.04(18) . . . . ?
C17 C12 P1 C1 92.23(17) . . . . ?
C13 C12 P1 C1 -93.5(2) . . . . ?
C6 C1 P1 O1 7.07(15) . . . . ?
C2 C1 P1 O1 -178.92(19) . . . . ?
C6 C1 P1 O2 175.61(15) . . . . ?
C2 C1 P1 O2 -10.37(19) . . . . ?
C6 C1 P1 C23 -88.22(16) . . . . ?
C2 C1 P1 C23 85.8(2) . . . . ?
C6 C1 P1 C12 91.36(18) . . . . ?
C2 C1 P1 C12 -94.6(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652667
