#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:35:06 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180086 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/32/7053246.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_7053246
loop_
_publ_author_name
'Maji, Pathik'
'Krishnamurthy, Setharampattu S.'
'Nethaji, Munirathinam'
_publ_section_title
;
 NMR and X-ray crystallographic studies of unsymmetrical
 25,26;27,28-dibridged para-tert-butyl calix[4]arene bisphosphites with a
 large “through-space” P--P coupling
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1478
_journal_paper_doi               10.1039/b903771c
_journal_volume                  34
_journal_year                    2010
_chemical_formula_moiety         'C59 H79 O6 P'
_chemical_formula_sum            'C59 H79 O6 P'
_chemical_formula_weight         915.19
_chemical_name_common
;
5,11,17,23-tetra-(tert-butyl)calix(4)arene 25,26-
(dihydroxy)(27,28-(2,6-di-tert-butyl-4-methyl-
phenyl))monophosphite,monohydrate
;
_chemical_name_systematic
;
5,11,17,23-tetra-(tert-butyl)calix[4]arene
25,26-(dihydroxy){27,28-(2,6-di-tert-butyl-
4-methyl-phenyl)}monophosphite,monohydrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 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                 108.889(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.929(3)
_cell_length_b                   21.378(3)
_cell_length_c                   18.173(2)
_cell_measurement_reflns_used    378
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      2.50
_cell_volume                     5487.6(15)
_computing_cell_refinement       'BRUKER SMART APEX CCD'
_computing_data_collection       'BRUKER SMART APEX CCD'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  'WINGX V1.80.01'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER SMART APEX CCD'
_diffrn_measurement_method       OMEGA
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19854
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.9714
_exptl_absorpt_correction_T_min  0.9549
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.108
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       RECTANGULAR
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.253
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.306
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4980
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.312
_refine_ls_R_factor_all          0.1373
_refine_ls_R_factor_gt           0.1067
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3228
_refine_ls_wR_factor_ref         0.3451
_reflns_number_gt                3506
_reflns_number_total             4980
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b903771c.txt
_cod_data_source_block           pat24_m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'EMPIRICAL'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5487.8(15)
_cod_original_sg_symbol_H-M      I2/m
_cod_database_code               7053246
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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
P1 P 0.76395(9) 0.5000 0.47576(7) 0.0371(3) Uani 1 2 d S
O1 O 0.72641(18) 0.43984(13) 0.41988(14) 0.0538(8) Uani 1 1 d .
O2 O 0.6904(2) 0.5000 0.52711(17) 0.0318(7) Uani 1 2 d S
O3 O 0.9234(2) 0.43609(13) 0.41187(16) 0.0554(7) Uani 1 1 d D
O4 O 0.6983(9) 0.5000 0.1599(8) 0.230(5) Uiso 0.94 2 d SP
H3A H 0.875(2) 0.437(5) 0.440(2) 0.33(6) Uiso 1 1 d D
C1 C 0.5377(3) 0.5000 0.3590(3) 0.0337(11) Uani 1 2 d S
H1A H 0.5668 0.5000 0.4151 0.040 Uiso 1 2 calc SR
H1B H 0.4695 0.5000 0.3471 0.040 Uiso 1 2 calc SR
C2 C 0.5684(2) 0.44202(16) 0.32440(19) 0.0330(8) Uani 1 1 d .
C3 C 0.5056(2) 0.41534(17) 0.2581(2) 0.0387(9) Uani 1 1 d .
H3 H 0.4442 0.4310 0.2392 0.046 Uiso 1 1 calc R
C4 C 0.5311(3) 0.36583(17) 0.2189(2) 0.0409(9) Uani 1 1 d .
C5 C 0.6222(3) 0.34244(17) 0.2501(2) 0.0405(9) Uani 1 1 d .
H5 H 0.6402 0.3089 0.2254 0.049 Uiso 1 1 calc R
C6 C 0.6884(2) 0.36731(16) 0.3173(2) 0.0334(8) Uani 1 1 d .
C7 C 0.6600(2) 0.41740(16) 0.35282(18) 0.0327(8) Uani 1 1 d .
C8 C 0.7878(2) 0.33945(17) 0.3475(2) 0.0373(8) Uani 1 1 d .
H8A H 0.7835 0.2944 0.3407 0.045 Uiso 1 1 calc R
H8B H 0.8145 0.3479 0.4028 0.045 Uiso 1 1 calc R
C9 C 0.8542(2) 0.36548(16) 0.3064(2) 0.0362(8) Uani 1 1 d .
C10 C 0.8518(3) 0.34289(18) 0.2340(2) 0.0415(9) Uani 1 1 d .
H10 H 0.8106 0.3103 0.2120 0.050 Uiso 1 1 calc R
C11 C 0.9083(3) 0.36686(17) 0.1928(2) 0.0421(9) Uani 1 1 d .
C12 C 0.9668(2) 0.41662(17) 0.2266(2) 0.0409(9) Uani 1 1 d .
H12 H 1.0049 0.4339 0.2003 0.049 Uiso 1 1 calc R
C13 C 0.9707(2) 0.44126(17) 0.2972(2) 0.0369(9) Uani 1 1 d .
C14 C 0.9166(2) 0.41469(17) 0.3384(2) 0.0367(8) Uani 1 1 d D
C15 C 1.0307(3) 0.5000 0.3283(3) 0.0434(13) Uani 1 2 d S
H15A H 1.0862 0.5000 0.3115 0.052 Uiso 1 2 calc SR
H15B H 1.0519 0.5000 0.3847 0.052 Uiso 1 2 calc SR
C16 C 0.7197(3) 0.5000 0.6100(2) 0.0286(11) Uani 1 2 d S
C17 C 0.7301(2) 0.55788(16) 0.64914(19) 0.0336(8) Uani 1 1 d .
C18 C 0.7585(2) 0.55524(19) 0.7304(2) 0.0420(9) Uani 1 1 d .
H18 H 0.7672 0.5926 0.7580 0.050 Uiso 1 1 calc R
C19 C 0.7740(4) 0.5000 0.7714(3) 0.0429(13) Uani 1 2 d SD
C20 C 0.4612(3) 0.3405(2) 0.1430(3) 0.0589(12) Uani 1 1 d .
C21 C 0.4369(5) 0.3953(3) 0.0813(3) 0.104(2) Uani 1 1 d .
H21A H 0.3815 0.3845 0.0386 0.156 Uiso 1 1 calc R
H21B H 0.4892 0.4018 0.0624 0.156 Uiso 1 1 calc R
H21C H 0.4250 0.4330 0.1053 0.156 Uiso 1 1 calc R
C22 C 0.4993(4) 0.2856(3) 0.1090(4) 0.106(2) Uani 1 1 d .
H22A H 0.5106 0.2508 0.1443 0.158 Uiso 1 1 calc R
H22B H 0.5575 0.2975 0.1010 0.158 Uiso 1 1 calc R
H22C H 0.4539 0.2738 0.0601 0.158 Uiso 1 1 calc R
C23 C 0.3696(4) 0.3207(3) 0.1550(3) 0.105(2) Uani 1 1 d .
H23A H 0.3806 0.2843 0.1877 0.158 Uiso 1 1 calc R
H23B H 0.3234 0.3111 0.1056 0.158 Uiso 1 1 calc R
H23C H 0.3465 0.3541 0.1793 0.158 Uiso 1 1 calc R
C24 C 0.9084(3) 0.3405(2) 0.1137(2) 0.0568(11) Uani 1 1 d .
C25 C 1.0032(4) 0.3081(4) 0.1241(4) 0.115(2) Uani 1 1 d .
H25A H 1.0531 0.3308 0.1613 0.172 Uiso 1 1 calc R
H25B H 1.0148 0.3070 0.0751 0.172 Uiso 1 1 calc R
H25C H 1.0012 0.2662 0.1424 0.172 Uiso 1 1 calc R
C26 C 0.8938(5) 0.3931(3) 0.0532(3) 0.098(2) Uani 1 1 d .
H26A H 0.8317 0.4107 0.0426 0.147 Uiso 1 1 calc R
H26B H 0.9000 0.3764 0.0061 0.147 Uiso 1 1 calc R
H26C H 0.9406 0.4250 0.0731 0.147 Uiso 1 1 calc R
C27 C 0.8284(4) 0.2936(3) 0.0792(3) 0.0958(19) Uani 1 1 d .
H27A H 0.8358 0.2586 0.1138 0.144 Uiso 1 1 calc R
H27B H 0.8306 0.2793 0.0297 0.144 Uiso 1 1 calc R
H27C H 0.7686 0.3134 0.0724 0.144 Uiso 1 1 calc R
C28 C 0.7161(3) 0.62294(16) 0.6094(2) 0.0407(9) Uani 1 1 d .
C29 C 0.7094(4) 0.6757(2) 0.6664(3) 0.0664(13) Uani 1 1 d .
H29A H 0.6585 0.6667 0.6862 0.100 Uiso 1 1 calc R
H29B H 0.6977 0.7150 0.6393 0.100 Uiso 1 1 calc R
H29C H 0.7678 0.6780 0.7087 0.100 Uiso 1 1 calc R
C30 C 0.8009(3) 0.6385(2) 0.5825(3) 0.0522(11) Uani 1 1 d .
H30A H 0.8548 0.6483 0.6269 0.078 Uiso 1 1 calc R
H30B H 0.7858 0.6739 0.5482 0.078 Uiso 1 1 calc R
H30C H 0.8152 0.6032 0.5557 0.078 Uiso 1 1 calc R
C31 C 0.6210(3) 0.6250(2) 0.5416(3) 0.0548(12) Uani 1 1 d .
H31A H 0.6241 0.5969 0.5012 0.082 Uiso 1 1 calc R
H31B H 0.6097 0.6667 0.5213 0.082 Uiso 1 1 calc R
H31C H 0.5705 0.6124 0.5602 0.082 Uiso 1 1 calc R
C32 C 0.8072(5) 0.5000 0.8601(4) 0.075(2) Uani 1 2 d SD
H32A H 0.8829(12) 0.5000 0.879(3) 0.23(5) Uiso 1 2 d SD
H32B H 0.7504(18) 0.5000 0.883(2) 0.18(5) Uiso 1 2 d SD
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 O1 104.9(2) . 6_565
O1 P1 O2 101.25(13) . .
O1 P1 O2 101.25(13) 6_565 .
C7 O1 P1 146.09(19) . .
C16 O2 P1 124.28(19) . .
C14 O3 H3A 131(3) . .
C2 C1 C2 108.6(4) . 6_565
C2 C1 H1A 110.0 . .
C2 C1 H1A 110.0 6_565 .
C2 C1 H1B 110.0 . .
C2 C1 H1B 110.0 6_565 .
H1A C1 H1B 108.3 . .
C3 C2 C7 118.1(3) . .
C3 C2 C1 118.9(3) . .
C7 C2 C1 122.8(3) . .
C2 C3 C4 122.3(3) . .
C2 C3 H3 118.8 . .
C4 C3 H3 118.8 . .
C5 C4 C3 117.3(3) . .
C5 C4 C20 122.1(4) . .
C3 C4 C20 120.5(3) . .
C4 C5 C6 122.7(3) . .
C4 C5 H5 118.7 . .
C6 C5 H5 118.7 . .
C7 C6 C5 117.6(3) . .
C7 C6 C8 122.8(3) . .
C5 C6 C8 119.6(3) . .
O1 C7 C6 116.0(3) . .
O1 C7 C2 122.0(3) . .
C6 C7 C2 121.9(3) . .
C6 C8 C9 113.0(3) . .
C6 C8 H8A 109.0 . .
C9 C8 H8A 109.0 . .
C6 C8 H8B 109.0 . .
C9 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C10 C9 C14 117.7(3) . .
C10 C9 C8 121.0(3) . .
C14 C9 C8 121.3(3) . .
C9 C10 C11 123.0(3) . .
C9 C10 H10 118.5 . .
C11 C10 H10 118.5 . .
C12 C11 C10 116.7(4) . .
C12 C11 C24 120.1(4) . .
C10 C11 C24 123.2(3) . .
C13 C12 C11 122.5(4) . .
C13 C12 H12 118.7 . .
C11 C12 H12 118.7 . .
C12 C13 C14 119.5(3) . .
C12 C13 C15 120.0(4) . .
C14 C13 C15 120.5(4) . .
O3 C14 C13 120.7(3) . .
O3 C14 C9 118.8(3) . .
C13 C14 C9 120.5(3) . .
C13 C15 C13 109.2(4) . 6_565
C13 C15 H15A 109.8 . .
C13 C15 H15A 109.8 6_565 .
C13 C15 H15B 109.8 . .
C13 C15 H15B 109.8 6_565 .
H15A C15 H15B 108.3 . .
C17 C16 C17 122.6(4) 6_565 .
C17 C16 O2 118.6(2) 6_565 .
C17 C16 O2 118.6(2) . .
C18 C17 C16 116.3(3) . .
C18 C17 C28 118.5(3) . .
C16 C17 C28 125.1(3) . .
C19 C18 C17 123.1(4) . .
C19 C18 H18 118.4 . .
C17 C18 H18 118.4 . .
C18 C19 C18 118.4(5) 6_565 .
C18 C19 C32 120.8(2) 6_565 .
C18 C19 C32 120.8(2) . .
C23 C20 C22 108.5(5) . .
C23 C20 C4 110.6(4) . .
C22 C20 C4 113.8(4) . .
C23 C20 C21 107.3(5) . .
C22 C20 C21 108.3(5) . .
C4 C20 C21 108.0(4) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C27 C24 C25 108.8(5) . .
C27 C24 C26 106.0(4) . .
C25 C24 C26 109.3(5) . .
C27 C24 C11 112.7(4) . .
C25 C24 C11 109.2(4) . .
C26 C24 C11 110.8(4) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C30 C28 C31 112.3(3) . .
C30 C28 C17 110.0(3) . .
C31 C28 C17 110.3(3) . .
C30 C28 C29 107.0(3) . .
C31 C28 C29 105.6(3) . .
C17 C28 C29 111.6(3) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C28 C31 H31A 109.5 . .
C28 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C28 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C19 C32 H32A 106(3) . .
C19 C32 H32B 113(2) . .
H32A C32 H32B 140(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1 1.622(3) .
P1 O1 1.622(3) 6_565
P1 O2 1.655(3) .
O1 C7 1.384(3) .
O2 C16 1.426(4) .
O3 C14 1.383(4) .
O3 H3A 1.014(19) .
C1 C2 1.526(4) .
C1 C2 1.526(4) 6_565
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.387(5) .
C2 C7 1.399(5) .
C3 C4 1.396(5) .
C3 H3 0.9300 .
C4 C5 1.386(5) .
C4 C20 1.535(5) .
C5 C6 1.404(5) .
C5 H5 0.9300 .
C6 C7 1.385(5) .
C6 C8 1.526(5) .
C8 C9 1.528(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.391(5) .
C9 C14 1.401(5) .
C10 C11 1.394(5) .
C10 H10 0.9300 .
C11 C12 1.387(5) .
C11 C24 1.545(6) .
C12 C13 1.371(5) .
C12 H12 0.9300 .
C13 C14 1.388(5) .
C13 C15 1.540(4) .
C15 C13 1.540(4) 6_565
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.411(4) 6_565
C16 C17 1.411(4) .
C17 C18 1.399(5) .
C17 C28 1.550(5) .
C18 C19 1.375(5) .
C18 H18 0.9300 .
C19 C18 1.375(5) 6_565
C19 C32 1.526(8) .
C20 C23 1.514(7) .
C20 C22 1.520(7) .
C20 C21 1.582(8) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C27 1.529(7) .
C24 C25 1.532(7) .
C24 C26 1.538(7) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C30 1.534(6) .
C28 C31 1.550(5) .
C28 C29 1.557(6) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 1.070(16) .
C32 H32B 1.064(18) .
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
O1 P1 O1 C7 -23.6(5) 6_565 .
O2 P1 O1 C7 81.4(4) . .
O1 P1 O2 C16 126.06(10) . .
O1 P1 O2 C16 -126.06(10) 6_565 .
C2 C1 C2 C3 -92.1(4) 6_565 .
C2 C1 C2 C7 82.6(4) 6_565 .
C7 C2 C3 C4 -0.9(5) . .
C1 C2 C3 C4 174.1(3) . .
C2 C3 C4 C5 1.9(6) . .
C2 C3 C4 C20 -176.2(4) . .
C3 C4 C5 C6 -1.3(6) . .
C20 C4 C5 C6 176.7(4) . .
C4 C5 C6 C7 -0.2(5) . .
C4 C5 C6 C8 -179.3(3) . .
P1 O1 C7 C6 152.5(3) . .
P1 O1 C7 C2 -30.1(5) . .
C5 C6 C7 O1 178.7(3) . .
C8 C6 C7 O1 -2.3(5) . .
C5 C6 C7 C2 1.3(5) . .
C8 C6 C7 C2 -179.7(3) . .
C3 C2 C7 O1 -178.0(3) . .
C1 C2 C7 O1 7.3(5) . .
C3 C2 C7 C6 -0.8(5) . .
C1 C2 C7 C6 -175.5(3) . .
C7 C6 C8 C9 -95.9(4) . .
C5 C6 C8 C9 83.1(4) . .
C6 C8 C9 C10 -80.5(4) . .
C6 C8 C9 C14 96.7(4) . .
C14 C9 C10 C11 0.2(5) . .
C8 C9 C10 C11 177.4(3) . .
C9 C10 C11 C12 -1.8(5) . .
C9 C10 C11 C24 177.9(3) . .
C10 C11 C12 C13 0.6(5) . .
C24 C11 C12 C13 -179.0(3) . .
C11 C12 C13 C14 2.1(5) . .
C11 C12 C13 C15 -174.8(3) . .
C12 C13 C14 O3 176.0(3) . .
C15 C13 C14 O3 -7.1(5) . .
C12 C13 C14 C9 -3.8(5) . .
C15 C13 C14 C9 173.1(3) . .
C10 C9 C14 O3 -177.1(3) . .
C8 C9 C14 O3 5.7(5) . .
C10 C9 C14 C13 2.7(5) . .
C8 C9 C14 C13 -174.5(3) . .
C12 C13 C15 C13 87.4(5) . 6_565
C14 C13 C15 C13 -89.5(5) . 6_565
P1 O2 C16 C17 -92.3(3) . 6_565
P1 O2 C16 C17 92.3(3) . .
C17 C16 C17 C18 4.5(6) 6_565 .
O2 C16 C17 C18 179.7(3) . .
C17 C16 C17 C28 -177.7(3) 6_565 .
O2 C16 C17 C28 -2.5(5) . .
C16 C17 C18 C19 -1.3(6) . .
C28 C17 C18 C19 -179.2(4) . .
C17 C18 C19 C18 -1.7(8) . 6_565
C17 C18 C19 C32 178.5(5) . .
C5 C4 C20 C23 126.0(5) . .
C3 C4 C20 C23 -56.0(6) . .
C5 C4 C20 C22 3.5(7) . .
C3 C4 C20 C22 -178.5(4) . .
C5 C4 C20 C21 -116.8(5) . .
C3 C4 C20 C21 61.1(5) . .
C12 C11 C24 C27 -170.4(4) . .
C10 C11 C24 C27 10.0(6) . .
C12 C11 C24 C25 68.6(5) . .
C10 C11 C24 C25 -111.0(5) . .
C12 C11 C24 C26 -51.8(5) . .
C10 C11 C24 C26 128.6(5) . .
C18 C17 C28 C30 102.8(4) . .
C16 C17 C28 C30 -75.0(4) . .
C18 C17 C28 C31 -132.9(4) . .
C16 C17 C28 C31 49.4(5) . .
C18 C17 C28 C29 -15.8(5) . .
C16 C17 C28 C29 166.4(4) . .
