#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/97/4319751.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_4319751
loop_
_publ_author_name
'Yun-Chou Tan'
'Xin-Min Gan'
'Jesse L. Stanchfield'
'Eileen N. Duesler'
'R. T. Paine'
_publ_section_title
;
 Synthesis and Coordination Chemistry of
 1,3-Bis(diphenylphosphinomethyl)benzene P,P'-Dioxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2910
_journal_page_last               2913
_journal_paper_doi               10.1021/ic0012367
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C32 H30 O3 P2'
_chemical_formula_weight         524.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.718(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.082(2)
_cell_length_b                   10.185(3)
_cell_length_c                   26.724(8)
_cell_measurement_reflns_used    34
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.43
_cell_measurement_theta_min      1.60
_cell_volume                     2741.1(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            8409
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.190
_exptl_absorpt_correction_T_max  0.96338
_exptl_absorpt_correction_T_min  0.93455
_exptl_absorpt_correction_type   face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.552
_exptl_crystal_size_mid          0.368
_exptl_crystal_size_min          0.208
_refine_diff_density_max         0.197
_refine_diff_density_min         -0.225
_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment
;
 methylene and phenyl group hydrogens were given
 idealized positions [riding model]; water hydrogen
 positions were input as found in difference map
 and varied; all H's with fixed isotropic U's set
 to 1.25U[equiv] of parent atom.
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0368
_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)+(0.0397P)²+0.5104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                3040
_reflns_number_total             4066
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0012367_1.cif
_cod_data_source_block           rtp002
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2741.0(13)
_cod_database_code               4319751
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
P1 P 0.34518(6) 0.11506(6) 0.13142(2) 0.03933(17) Uani 1 1 d . . .
P2 P 0.65052(6) 0.42118(6) 0.34109(2) 0.04054(18) Uani 1 1 d . . .
O1 O 0.20140(16) 0.13745(16) 0.13707(6) 0.0553(4) Uani 1 1 d . . .
O2 O 0.69715(16) 0.55348(15) 0.35773(6) 0.0525(4) Uani 1 1 d . . .
O3 O 0.5400(2) 0.7556(2) 0.40058(9) 0.0795(7) Uani 1 1 d . . .
H3A H 0.461(3) 0.724(3) 0.3928(12) 0.099 Uiso 1 1 d . . .
H3B H 0.591(3) 0.708(3) 0.3912(13) 0.099 Uiso 1 1 d . . .
C1 C 0.4552(2) 0.2377(2) 0.24807(8) 0.0387(5) Uani 1 1 d . . .
H1 H 0.5125 0.2776 0.2264 0.048 Uiso 1 1 calc R . .
C2 C 0.4001(2) 0.1173(2) 0.23506(8) 0.0401(5) Uani 1 1 d . . .
C3 C 0.3163(2) 0.0580(2) 0.26806(9) 0.0502(6) Uani 1 1 d . . .
H3 H 0.2789 -0.0234 0.2603 0.063 Uiso 1 1 calc R . .
C4 C 0.2884(2) 0.1194(3) 0.31227(9) 0.0548(7) Uani 1 1 d . . .
H4 H 0.2327 0.0786 0.3343 0.068 Uiso 1 1 calc R . .
C5 C 0.3417(2) 0.2403(3) 0.32425(9) 0.0503(6) Uani 1 1 d . . .
H5 H 0.3201 0.2817 0.3538 0.063 Uiso 1 1 calc R . .
C6 C 0.4276(2) 0.3006(2) 0.29238(8) 0.0387(5) Uani 1 1 d . . .
C7 C 0.4313(2) 0.0492(2) 0.18690(8) 0.0430(6) Uani 1 1 d . . .
H7A H 0.4088 -0.0430 0.1898 0.054 Uiso 1 1 calc R . .
H7B H 0.5261 0.0548 0.1827 0.054 Uiso 1 1 calc R . .
C8 C 0.4923(2) 0.4294(2) 0.30628(9) 0.0448(6) Uani 1 1 d . . .
H8A H 0.4313 0.4792 0.3259 0.056 Uiso 1 1 calc R . .
H8B H 0.5046 0.4783 0.2757 0.056 Uiso 1 1 calc R . .
C9 C 0.3751(2) -0.0057(2) 0.08400(8) 0.0402(6) Uani 1 1 d . . .
C10 C 0.5021(3) -0.0474(2) 0.07354(9) 0.0491(6) Uani 1 1 d . . .
H10 H 0.5756 -0.0101 0.0905 0.061 Uiso 1 1 calc R . .
C11 C 0.5199(3) -0.1437(2) 0.03828(9) 0.0584(7) Uani 1 1 d . . .
H11 H 0.6052 -0.1713 0.0316 0.073 Uiso 1 1 calc R . .
C12 C 0.4125(4) -0.1989(3) 0.01294(10) 0.0657(8) Uani 1 1 d . . .
H12 H 0.4252 -0.2640 -0.0108 0.082 Uiso 1 1 calc R . .
C13 C 0.2860(3) -0.1587(3) 0.02235(10) 0.0662(8) Uani 1 1 d . . .
H13 H 0.2135 -0.1960 0.0049 0.083 Uiso 1 1 calc R . .
C14 C 0.2665(3) -0.0622(2) 0.05803(9) 0.0540(7) Uani 1 1 d . . .
H14 H 0.1809 -0.0353 0.0646 0.068 Uiso 1 1 calc R . .
C15 C 0.4291(2) 0.2634(2) 0.11382(8) 0.0397(5) Uani 1 1 d . . .
C16 C 0.5650(2) 0.2818(2) 0.12005(9) 0.0471(6) Uani 1 1 d . . .
H16 H 0.6177 0.2170 0.1354 0.059 Uiso 1 1 calc R . .
C17 C 0.6227(3) 0.3961(2) 0.10357(9) 0.0583(7) Uani 1 1 d . . .
H17 H 0.7140 0.4080 0.1079 0.073 Uiso 1 1 calc R . .
C18 C 0.5462(3) 0.4918(3) 0.08091(10) 0.0648(8) Uani 1 1 d . . .
H18 H 0.5856 0.5678 0.0693 0.081 Uiso 1 1 calc R . .
C19 C 0.4118(3) 0.4754(3) 0.07527(11) 0.0694(8) Uani 1 1 d . . .
H19 H 0.3598 0.5413 0.0603 0.085 Uiso 1 1 calc R . .
C20 C 0.3527(3) 0.3621(2) 0.09154(10) 0.0556(7) Uani 1 1 d . . .
H20 H 0.2611 0.3519 0.0875 0.069 Uiso 1 1 calc R . .
C21 C 0.7667(2) 0.3457(2) 0.30099(8) 0.0418(6) Uani 1 1 d . . .
C22 C 0.7801(2) 0.3968(3) 0.25303(9) 0.0531(6) Uani 1 1 d . . .
H22 H 0.7218 0.4617 0.2411 0.066 Uiso 1 1 calc R . .
C23 C 0.8781(3) 0.3527(3) 0.22308(10) 0.0622(7) Uani 1 1 d . . .
H23 H 0.8858 0.3880 0.1913 0.078 Uiso 1 1 calc R . .
C24 C 0.9641(3) 0.2573(3) 0.24000(11) 0.0630(8) Uani 1 1 d . . .
H24 H 1.0301 0.2273 0.2197 0.079 Uiso 1 1 calc R . .
C25 C 0.9527(3) 0.2058(3) 0.28702(11) 0.0604(7) Uani 1 1 d . . .
H25 H 1.0114 0.1408 0.2985 0.075 Uiso 1 1 calc R . .
C26 C 0.8552(2) 0.2493(2) 0.31746(9) 0.0500(6) Uani 1 1 d . . .
H26 H 0.8488 0.2136 0.3493 0.063 Uiso 1 1 calc R . .
C27 C 0.6264(2) 0.3136(2) 0.39342(8) 0.0420(6) Uani 1 1 d . . .
C28 C 0.6061(2) 0.1787(2) 0.38909(9) 0.0505(6) Uani 1 1 d . . .
H28 H 0.6095 0.1388 0.3579 0.063 Uiso 1 1 calc R . .
C29 C 0.5808(3) 0.1035(3) 0.43057(11) 0.0629(7) Uani 1 1 d . . .
H29 H 0.5681 0.0134 0.4274 0.079 Uiso 1 1 calc R . .
C30 C 0.5748(3) 0.1630(3) 0.47655(11) 0.0760(9) Uani 1 1 d . . .
H30 H 0.5583 0.1127 0.5046 0.095 Uiso 1 1 calc R . .
C31 C 0.5928(3) 0.2962(3) 0.48136(10) 0.0761(9) Uani 1 1 d . . .
H31 H 0.5873 0.3357 0.5126 0.095 Uiso 1 1 calc R . .
C32 C 0.6189(3) 0.3715(3) 0.44031(9) 0.0572(7) Uani 1 1 d . . .
H32 H 0.6317 0.4615 0.4439 0.071 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'
O O 0.0106 0.0060 '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
O1 P1 C9 111.96(11) . . ?
O1 P1 C15 111.75(10) . . ?
C9 P1 C15 106.97(10) . . ?
O1 P1 C7 113.99(11) . . ?
C9 P1 C7 103.49(10) . . ?
C15 P1 C7 108.13(11) . . ?
O2 P2 C21 111.10(10) . . ?
O2 P2 C27 111.78(10) . . ?
C21 P2 C27 108.55(11) . . ?
O2 P2 C8 111.70(10) . . ?
C21 P2 C8 107.28(11) . . ?
C27 P2 C8 106.18(11) . . ?
H3A O3 H3B 109(3) . . ?
C2 C1 C6 122.0(2) . . ?
C2 C1 H1 119.0 . . ?
C6 C1 H1 119.0 . . ?
C1 C2 C3 118.4(2) . . ?
C1 C2 C7 121.6(2) . . ?
C3 C2 C7 120.0(2) . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 118.4(2) . . ?
C1 C6 C8 120.8(2) . . ?
C5 C6 C8 120.7(2) . . ?
C2 C7 P1 114.63(15) . . ?
C2 C7 H7A 108.6 . . ?
P1 C7 H7A 108.6 . . ?
C2 C7 H7B 108.6 . . ?
P1 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C6 C8 P2 116.60(15) . . ?
C6 C8 H8A 108.1 . . ?
P2 C8 H8A 108.1 . . ?
C6 C8 H8B 108.1 . . ?
P2 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C10 C9 C14 118.9(2) . . ?
C10 C9 P1 122.47(17) . . ?
C14 C9 P1 118.60(19) . . ?
C11 C10 C9 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 120.4(3) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C14 120.0(3) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C9 120.0(3) . . ?
C13 C14 H14 120.0 . . ?
C9 C14 H14 120.0 . . ?
C20 C15 C16 118.8(2) . . ?
C20 C15 P1 117.49(18) . . ?
C16 C15 P1 123.72(17) . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.9(2) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C20 120.6(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C15 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
C15 C20 H20 119.9 . . ?
C26 C21 C22 117.9(2) . . ?
C26 C21 P2 122.84(18) . . ?
C22 C21 P2 118.80(18) . . ?
C23 C22 C21 121.0(2) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 120.1(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.7(3) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C21 120.5(2) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C32 C27 C28 118.7(2) . . ?
C32 C27 P2 117.14(18) . . ?
C28 C27 P2 124.06(18) . . ?
C29 C28 C27 120.8(2) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C28 119.4(3) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C31 120.5(3) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C27 120.2(3) . . ?
C31 C32 H32 119.9 . . ?
C27 C32 H32 119.9 . . ?
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 O1 1.4822(17) . ?
P1 C9 1.801(2) . ?
P1 C15 1.805(2) . ?
P1 C7 1.811(2) . ?
P2 O2 1.4882(17) . ?
P2 C21 1.797(2) . ?
P2 C27 1.803(2) . ?
P2 C8 1.810(2) . ?
O3 H3A 0.87(3) . ?
O3 H3B 0.76(3) . ?
C1 C2 1.384(3) . ?
C1 C6 1.386(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.388(3) . ?
C2 C7 1.509(3) . ?
C3 C4 1.377(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(3) . ?
C5 H5 0.9300 . ?
C6 C8 1.504(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.390(3) . ?
C9 C14 1.393(3) . ?
C10 C11 1.377(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.371(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.373(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C20 1.384(3) . ?
C15 C16 1.385(3) . ?
C16 C17 1.383(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.366(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.367(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.379(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.384(3) . ?
C21 C22 1.396(3) . ?
C22 C23 1.377(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.365(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.371(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.390(3) . ?
C27 C28 1.393(3) . ?
C28 C29 1.381(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.374(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.374(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.374(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3B O2 0.76(3) 2.13(3) 2.869(3) 167(4) .
O3 H3A O1 0.87(3) 2.00(3) 2.856(3) 168(3) 2
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 -0.9(3) . . . . ?
C6 C1 C2 C7 -179.6(2) . . . . ?
C1 C2 C3 C4 0.8(3) . . . . ?
C7 C2 C3 C4 179.5(2) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C3 C4 C5 C6 -1.7(4) . . . . ?
C2 C1 C6 C5 -0.2(3) . . . . ?
C2 C1 C6 C8 178.1(2) . . . . ?
C4 C5 C6 C1 1.6(3) . . . . ?
C4 C5 C6 C8 -176.8(2) . . . . ?
C1 C2 C7 P1 -77.3(2) . . . . ?
C3 C2 C7 P1 104.0(2) . . . . ?
O1 P1 C7 C2 -46.5(2) . . . . ?
C9 P1 C7 C2 -168.34(17) . . . . ?
C15 P1 C7 C2 78.43(19) . . . . ?
C1 C6 C8 P2 -88.5(2) . . . . ?
C5 C6 C8 P2 89.7(2) . . . . ?
O2 P2 C8 C6 -173.44(16) . . . . ?
C21 P2 C8 C6 64.6(2) . . . . ?
C27 P2 C8 C6 -51.34(19) . . . . ?
O1 P1 C9 C10 -177.03(18) . . . . ?
C15 P1 C9 C10 60.2(2) . . . . ?
C7 P1 C9 C10 -53.8(2) . . . . ?
O1 P1 C9 C14 0.9(2) . . . . ?
C15 P1 C9 C14 -121.88(18) . . . . ?
C7 P1 C9 C14 124.06(18) . . . . ?
C14 C9 C10 C11 -0.4(3) . . . . ?
P1 C9 C10 C11 177.49(17) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C13 0.1(4) . . . . ?
C11 C12 C13 C14 -0.5(4) . . . . ?
C12 C13 C14 C9 0.4(4) . . . . ?
C10 C9 C14 C13 0.0(3) . . . . ?
P1 C9 C14 C13 -177.93(18) . . . . ?
O1 P1 C15 C20 -21.5(2) . . . . ?
C9 P1 C15 C20 101.32(19) . . . . ?
C7 P1 C15 C20 -147.79(18) . . . . ?
O1 P1 C15 C16 160.43(19) . . . . ?
C9 P1 C15 C16 -76.7(2) . . . . ?
C7 P1 C15 C16 34.2(2) . . . . ?
C20 C15 C16 C17 -0.9(3) . . . . ?
P1 C15 C16 C17 177.12(18) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 C19 1.2(4) . . . . ?
C17 C18 C19 C20 -1.1(4) . . . . ?
C18 C19 C20 C15 0.0(4) . . . . ?
C16 C15 C20 C19 1.0(4) . . . . ?
P1 C15 C20 C19 -177.2(2) . . . . ?
O2 P2 C21 C26 102.0(2) . . . . ?
C27 P2 C21 C26 -21.3(2) . . . . ?
C8 P2 C21 C26 -135.69(19) . . . . ?
O2 P2 C21 C22 -70.0(2) . . . . ?
C27 P2 C21 C22 166.70(18) . . . . ?
C8 P2 C21 C22 52.4(2) . . . . ?
C26 C21 C22 C23 0.0(4) . . . . ?
P2 C21 C22 C23 172.4(2) . . . . ?
C21 C22 C23 C24 0.2(4) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C26 0.1(4) . . . . ?
C24 C25 C26 C21 0.1(4) . . . . ?
C22 C21 C26 C25 -0.2(3) . . . . ?
P2 C21 C26 C25 -172.20(19) . . . . ?
O2 P2 C27 C32 16.3(2) . . . . ?
C21 P2 C27 C32 139.16(19) . . . . ?
C8 P2 C27 C32 -105.8(2) . . . . ?
O2 P2 C27 C28 -168.2(2) . . . . ?
C21 P2 C27 C28 -45.3(2) . . . . ?
C8 P2 C27 C28 69.7(2) . . . . ?
C32 C27 C28 C29 -0.9(4) . . . . ?
P2 C27 C28 C29 -176.33(19) . . . . ?
C27 C28 C29 C30 0.5(4) . . . . ?
C28 C29 C30 C31 0.4(5) . . . . ?
C29 C30 C31 C32 -0.8(5) . . . . ?
C30 C31 C32 C27 0.5(5) . . . . ?
C28 C27 C32 C31 0.4(4) . . . . ?
P2 C27 C32 C31 176.2(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30661085
