#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/92/1529286.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_1529286
loop_
_publ_author_name
'Yamamura, Masaki'
'Hongo, Daigo'
'Nabeshima, Tatsuya'
_publ_section_title
;
 Twofold fused concave hosts containing two phosphorus atoms: modules for
 the sandwich-type encapsulation of fullerenes in variable cavities
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              6373
_journal_paper_doi               10.1039/C5SC02224J
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C60 H64 O6 P2'
_chemical_formula_weight         943.05
_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
_audit_update_record
;
2015-05-18 deposited with the CCDC.
2015-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                97.161(2)
_cell_angle_beta                 111.866(2)
_cell_angle_gamma                112.432(2)
_cell_formula_units_Z            1
_cell_length_a                   11.135(2)
_cell_length_b                   11.644(3)
_cell_length_c                   12.132(3)
_cell_measurement_reflns_used    6121
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.20
_cell_volume                     1282.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            32000
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.136
_exptl_absorpt_correction_T_max  0.9932
_exptl_absorpt_correction_T_min  0.9603
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         6222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0447
_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)+(0.0422P)²+1.0197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1149
_reflns_number_gt                4568
_reflns_number_total             6222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc02224j2.cif
_cod_data_source_block           antic60_0m
_cod_depositor_comments
'Adding full bibliography for 1529286--1529292.cif.'
_cod_original_cell_volume        1282.4(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1529286
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
P1 P 0.22823(4) 0.00550(4) 0.02150(4) 0.01543(11) Uani 1 1 d .
O2 O 0.50170(13) 0.23847(12) 0.05338(12) 0.0206(3) Uani 1 1 d .
C1 C -0.2038(2) -0.2895(2) 0.1601(2) 0.0320(5) Uani 1 1 d .
H1A H -0.2674 -0.3000 0.2003 0.048 Uiso 1 1 calc R
H1B H -0.2444 -0.3707 0.0936 0.048 Uiso 1 1 calc R
H1C H -0.1976 -0.2179 0.1241 0.048 Uiso 1 1 calc R
C2 C -0.0509(2) -0.25827(18) 0.25710(17) 0.0224(4) Uani 1 1 d .
C3 C 0.04507(18) -0.24481(17) 0.19087(16) 0.0197(3) Uani 1 1 d .
C4 C 0.09242(17) -0.13707(17) 0.15061(16) 0.0183(3) Uani 1 1 d .
H4 H 0.0656 -0.0707 0.1658 0.022 Uiso 1 1 calc R
C5 C 0.17854(17) -0.12292(16) 0.08824(15) 0.0167(3) Uani 1 1 d .
C6 C 0.38720(17) 0.00451(16) 0.02034(15) 0.0163(3) Uani 1 1 d .
C7 C 0.49686(17) 0.11852(16) 0.02597(16) 0.0165(3) Uani 1 1 d .
C8 C 0.39260(17) -0.11293(16) -0.00169(15) 0.0164(3) Uani 1 1 d .
O3 O 0.29118(13) -0.22692(12) -0.00253(12) 0.0205(3) Uani 1 1 d .
C10 C 0.21342(17) -0.22352(17) 0.06354(16) 0.0179(3) Uani 1 1 d .
C11 C 0.0134(2) -0.1297(2) 0.3593(2) 0.0359(5) Uani 1 1 d .
H11A H 0.1133 -0.1070 0.4191 0.054 Uiso 1 1 calc R
H11B H -0.0468 -0.1399 0.4027 0.054 Uiso 1 1 calc R
H11C H 0.0148 -0.0600 0.3213 0.054 Uiso 1 1 calc R
C12 C -0.0644(2) -0.3687(2) 0.3161(2) 0.0354(5) Uani 1 1 d .
H12A H -0.1221 -0.3714 0.3609 0.053 Uiso 1 1 calc R
H12B H 0.0333 -0.3530 0.3746 0.053 Uiso 1 1 calc R
H12C H -0.1129 -0.4524 0.2503 0.053 Uiso 1 1 calc R
C13 C 0.43181(18) 0.26313(17) 0.11979(16) 0.0181(3) Uani 1 1 d .
C14 C 0.30925(17) 0.16839(16) 0.12170(16) 0.0171(3) Uani 1 1 d .
C15 C 0.24682(17) 0.20965(17) 0.18909(16) 0.0179(3) Uani 1 1 d .
H15 H 0.1621 0.1464 0.1891 0.022 Uiso 1 1 calc R
C16 C 0.30478(18) 0.34026(17) 0.25611(16) 0.0188(3) Uani 1 1 d .
C17 C 0.42712(19) 0.43122(18) 0.25126(17) 0.0222(4) Uani 1 1 d .
H17 H 0.4685 0.5210 0.2957 0.027 Uiso 1 1 calc R
C18 C 0.48949(19) 0.39381(17) 0.18344(17) 0.0219(4) Uani 1 1 d .
H18 H 0.5717 0.4577 0.1806 0.026 Uiso 1 1 calc R
C19 C 0.22943(19) 0.37911(17) 0.32552(16) 0.0209(4) Uani 1 1 d .
C20 C 0.07729(19) 0.35143(18) 0.22795(19) 0.0261(4) Uani 1 1 d .
H20A H 0.0872 0.3949 0.1654 0.039 Uiso 1 1 calc R
H20B H 0.0314 0.3848 0.2695 0.039 Uiso 1 1 calc R
H20C H 0.0164 0.2570 0.1869 0.039 Uiso 1 1 calc R
C21 C 0.2113(2) 0.2974(2) 0.41357(19) 0.0323(5) Uani 1 1 d .
H21A H 0.1633 0.3233 0.4578 0.048 Uiso 1 1 calc R
H21B H 0.3076 0.3123 0.4743 0.048 Uiso 1 1 calc R
H21C H 0.1514 0.2045 0.3648 0.048 Uiso 1 1 calc R
C22 C 0.3137(2) 0.52413(19) 0.40148(19) 0.0285(4) Uani 1 1 d .
H22A H 0.3210 0.5771 0.3453 0.043 Uiso 1 1 calc R
H22B H 0.4120 0.5442 0.4627 0.043 Uiso 1 1 calc R
H22C H 0.2621 0.5439 0.4451 0.043 Uiso 1 1 calc R
O1 O 0.10995(12) -0.01909(12) -0.10228(11) 0.0192(3) Uani 1 1 d .
C24 C 0.08232(19) -0.34254(18) 0.16336(18) 0.0237(4) Uani 1 1 d .
H24 H 0.0503 -0.4178 0.1889 0.028 Uiso 1 1 calc R
C25 C 0.16463(19) -0.33300(18) 0.09983(18) 0.0230(4) Uani 1 1 d .
H25 H 0.1874 -0.4015 0.0813 0.028 Uiso 1 1 calc R
C26 C 0.4410(4) 1.1811(3) 0.6925(3) 0.0766(10) Uani 1 1 d .
H26A H 0.3563 1.1925 0.6430 0.115 Uiso 1 1 calc R
H26B H 0.5156 1.2156 0.6643 0.115 Uiso 1 1 calc R
H26C H 0.4815 1.2285 0.7809 0.115 Uiso 1 1 calc R
C27 C 0.3950(2) 1.0403(2) 0.6765(2) 0.0412(5) Uani 1 1 d .
C28 C 0.4634(3) 0.9770(3) 0.6372(2) 0.0507(7) Uani 1 1 d .
H28 H 0.5419 1.0245 0.6204 0.061 Uiso 1 1 calc R
C29 C 0.4164(3) 0.8453(3) 0.6230(2) 0.0560(8) Uani 1 1 d .
H29 H 0.4626 0.8025 0.5959 0.067 Uiso 1 1 calc R
C30 C 0.3034(3) 0.7754(3) 0.6476(2) 0.0602(8) Uani 1 1 d .
H30 H 0.2713 0.6847 0.6372 0.072 Uiso 1 1 calc R
C31 C 0.2384(3) 0.8372(3) 0.6869(2) 0.0528(7) Uani 1 1 d .
H31 H 0.1611 0.7896 0.7049 0.063 Uiso 1 1 calc R
C32 C 0.2825(2) 0.9664(3) 0.7009(2) 0.0399(5) Uani 1 1 d .
H32 H 0.2348 1.0072 0.7283 0.048 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
O1 P1 C6 115.53(7) . .
O1 P1 C14 112.29(7) . .
C6 P1 C14 99.24(8) . .
O1 P1 C5 112.92(7) . .
C6 P1 C5 99.11(8) . .
C14 P1 C5 116.42(8) . .
C7 O2 C13 120.53(13) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C1 C2 C11 109.29(16) . .
C1 C2 C12 108.46(16) . .
C11 C2 C12 109.00(17) . .
C1 C2 C3 108.23(15) . .
C11 C2 C3 109.96(15) . .
C12 C2 C3 111.85(15) . .
C4 C3 C24 117.38(15) . .
C4 C3 C2 120.96(15) . .
C24 C3 C2 121.59(16) . .
C3 C4 C5 122.27(16) . .
C3 C4 H4 118.9 . .
C5 C4 H4 118.9 . .
C10 C5 C4 118.00(16) . .
C10 C5 P1 117.38(12) . .
C4 C5 P1 124.16(13) . .
C8 C6 C7 120.39(15) . .
C8 C6 P1 119.67(12) . .
C7 C6 P1 119.45(13) . .
O2 C7 C8 117.17(15) . 2_655
O2 C7 C6 123.24(14) . .
C8 C7 C6 119.59(15) 2_655 .
O3 C8 C6 122.83(14) . .
O3 C8 C7 117.26(14) . 2_655
C6 C8 C7 119.90(15) . 2_655
C8 O3 C10 120.34(13) . .
C25 C10 O3 114.32(15) . .
C25 C10 C5 120.80(15) . .
O3 C10 C5 124.81(15) . .
C2 C11 H11A 109.5 . .
C2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C2 C12 H12A 109.5 . .
C2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 O2 114.38(15) . .
C18 C13 C14 120.57(15) . .
O2 C13 C14 125.00(15) . .
C13 C14 C15 118.22(15) . .
C13 C14 P1 117.53(12) . .
C15 C14 P1 123.72(13) . .
C16 C15 C14 122.26(15) . .
C16 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
C15 C16 C17 117.38(15) . .
C15 C16 C19 119.61(15) . .
C17 C16 C19 122.94(15) . .
C18 C17 C16 121.69(16) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C13 C18 C17 119.84(16) . .
C13 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C16 C19 C22 112.51(15) . .
C16 C19 C21 110.09(15) . .
C22 C19 C21 108.90(16) . .
C16 C19 C20 108.06(14) . .
C22 C19 C20 108.23(15) . .
C21 C19 C20 108.97(15) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C25 C24 C3 121.87(17) . .
C25 C24 H24 119.1 . .
C3 C24 H24 119.1 . .
C10 C25 C24 119.65(16) . .
C10 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C27 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C27 C28 117.5(2) . .
C32 C27 C26 120.8(3) . .
C28 C27 C26 121.8(3) . .
C29 C28 C27 119.8(2) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C30 C29 C28 120.8(3) . .
C30 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C31 C30 C29 119.3(3) . .
C31 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C30 C31 C32 120.8(3) . .
C30 C31 H31 119.6 . .
C32 C31 H31 119.6 . .
C31 C32 C27 121.9(2) . .
C31 C32 H32 119.1 . .
C27 C32 H32 119.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1 1.4844(13) .
P1 C6 1.7798(16) .
P1 C14 1.7864(18) .
P1 C5 1.7894(18) .
O2 C7 1.370(2) .
O2 C13 1.3846(19) .
C1 C2 1.531(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C11 1.532(3) .
C2 C12 1.533(3) .
C2 C3 1.535(2) .
C3 C4 1.389(2) .
C3 C24 1.395(2) .
C4 C5 1.404(2) .
C4 H4 0.9500 .
C5 C10 1.400(2) .
C6 C8 1.389(2) .
C6 C7 1.391(2) .
C7 C8 1.390(2) 2_655
C8 O3 1.372(2) .
C8 C7 1.390(2) 2_655
O3 C10 1.3889(19) .
C10 C25 1.380(2) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C18 1.384(2) .
C13 C14 1.400(2) .
C14 C15 1.401(2) .
C15 C16 1.394(2) .
C15 H15 0.9500 .
C16 C17 1.398(2) .
C16 C19 1.529(2) .
C17 C18 1.384(2) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C22 1.530(2) .
C19 C21 1.534(3) .
C19 C20 1.539(2) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C24 C25 1.384(2) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.481(4) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C32 1.384(3) .
C27 C28 1.401(4) .
C28 C29 1.382(4) .
C28 H28 0.9500 .
C29 C30 1.376(4) .
C29 H29 0.9500 .
C30 C31 1.356(4) .
C30 H30 0.9500 .
C31 C32 1.357(4) .
C31 H31 0.9500 .
C32 H32 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_4
C1 C2 C3 C4 72.0(2) . .
C11 C2 C3 C4 -47.3(2) . .
C12 C2 C3 C4 -168.55(17) . .
C1 C2 C3 C24 -104.8(2) . .
C11 C2 C3 C24 135.84(19) . .
C12 C2 C3 C24 14.6(2) . .
C24 C3 C4 C5 -2.1(3) . .
C2 C3 C4 C5 -179.08(16) . .
C3 C4 C5 C10 1.8(2) . .
C3 C4 C5 P1 173.88(13) . .
O1 P1 C5 C10 92.02(14) . .
C6 P1 C5 C10 -30.78(14) . .
C14 P1 C5 C10 -135.92(13) . .
O1 P1 C5 C4 -80.11(16) . .
C6 P1 C5 C4 157.09(14) . .
C14 P1 C5 C4 51.95(16) . .
O1 P1 C6 C8 -86.10(15) . .
C14 P1 C6 C8 153.66(14) . .
C5 P1 C6 C8 34.81(15) . .
O1 P1 C6 C7 85.94(15) . .
C14 P1 C6 C7 -34.29(15) . .
C5 P1 C6 C7 -153.15(14) . .
C13 O2 C7 C8 -157.15(15) . 2_655
C13 O2 C7 C6 23.5(2) . .
C8 C6 C7 O2 -176.71(15) . .
P1 C6 C7 O2 11.3(2) . .
C8 C6 C7 C8 4.0(3) . 2_655
P1 C6 C7 C8 -167.99(13) . 2_655
C7 C6 C8 O3 176.94(15) . .
P1 C6 C8 O3 -11.1(2) . .
C7 C6 C8 C7 -4.0(3) . 2_655
P1 C6 C8 C7 167.96(13) . 2_655
C6 C8 O3 C10 -25.0(2) . .
C7 C8 O3 C10 155.91(15) 2_655 .
C8 O3 C10 C25 -153.96(15) . .
C8 O3 C10 C5 29.1(2) . .
C4 C5 C10 C25 -0.1(2) . .
P1 C5 C10 C25 -172.76(14) . .
C4 C5 C10 O3 176.65(15) . .
P1 C5 C10 O3 4.0(2) . .
C7 O2 C13 C18 155.38(15) . .
C7 O2 C13 C14 -27.1(2) . .
C18 C13 C14 C15 0.3(3) . .
O2 C13 C14 C15 -177.15(15) . .
C18 C13 C14 P1 172.26(14) . .
O2 C13 C14 P1 -5.1(2) . .
O1 P1 C14 C13 -91.78(14) . .
C6 P1 C14 C13 30.81(15) . .
C5 P1 C14 C13 135.88(13) . .
O1 P1 C14 C15 79.75(16) . .
C6 P1 C14 C15 -157.66(15) . .
C5 P1 C14 C15 -52.60(17) . .
C13 C14 C15 C16 -1.7(3) . .
P1 C14 C15 C16 -173.15(13) . .
C14 C15 C16 C17 1.7(3) . .
C14 C15 C16 C19 178.75(15) . .
C15 C16 C17 C18 -0.4(3) . .
C19 C16 C17 C18 -177.30(17) . .
O2 C13 C18 C17 178.70(16) . .
C14 C13 C18 C17 1.0(3) . .
C16 C17 C18 C13 -1.0(3) . .
C15 C16 C19 C22 175.86(16) . .
C17 C16 C19 C22 -7.3(2) . .
C15 C16 C19 C21 54.2(2) . .
C17 C16 C19 C21 -128.96(19) . .
C15 C16 C19 C20 -64.7(2) . .
C17 C16 C19 C20 112.13(19) . .
C4 C3 C24 C25 0.8(3) . .
C2 C3 C24 C25 177.74(17) . .
O3 C10 C25 C24 -178.24(16) . .
C5 C10 C25 C24 -1.1(3) . .
C3 C24 C25 C10 0.8(3) . .
C32 C27 C28 C29 0.7(3) . .
C26 C27 C28 C29 -179.7(2) . .
C27 C28 C29 C30 -0.4(4) . .
C28 C29 C30 C31 -0.4(4) . .
C29 C30 C31 C32 0.7(4) . .
C30 C31 C32 C27 -0.3(4) . .
C28 C27 C32 C31 -0.4(3) . .
C26 C27 C32 C31 180.0(2) . .
