#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:49:50 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289482 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/49/7714987.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_7714987
loop_
_publ_author_name
'Kawase, Yuria'
'Tsujimoto, Shota'
'Obayashi, Tomohiro'
'Kimura, Satoshi'
'Ito, Kanta'
'Ikoma, Shotaro'
'Ota, Kei'
'Hashizume, Daisuke'
'Matsuo, Tsukasa'
_publ_section_title
;
 Selective monooxygenation of diphosphenes with molecular oxygen.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1956
_journal_page_last               1960
_journal_paper_doi               10.1039/d3dt04348g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C48 H74 O P2'
_chemical_formula_sum            'C48 H74 O P2'
_chemical_formula_weight         729.01
_chemical_melting_point          521.0(10)
_chemical_name_common            (EMind)(O=)P=P(EMind)
_chemical_name_systematic        'EMind diphosphene oxide'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2023-11-25 deposited with the CCDC.	2024-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                93.270(3)
_cell_angle_beta                 90.315(3)
_cell_angle_gamma                102.939(3)
_cell_formula_units_Z            2
_cell_length_a                   10.7135(4)
_cell_length_b                   11.7140(4)
_cell_length_c                   17.7296(6)
_cell_measurement_reflns_used    11145
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.3400
_cell_measurement_theta_min      1.8070
_cell_volume                     2164.62(13)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    SHELXLE
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    SHELXT-2018/2
_diffrn_ambient_temperature      100
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1034
_diffrn_reflns_av_unetI/netI     0.0794
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            102503
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.194
_diffrn_reflns_theta_min         1.951
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: benzene-d6'
_exptl_crystal_size_max          0.236
_exptl_crystal_size_mid          0.152
_exptl_crystal_size_min          0.124
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         11259
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0403P)²+2.1609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1532
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7332
_reflns_number_total             11259
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04348g2.cif
_cod_data_source_block           EMindP2O
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value '520-522' was changed to
'521.0(10)' -- the average value was taken and precision was
estimated.

data item '_exptl_absorpt_correction_type' value 'Gaussian' was
changed to 'gaussian' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7714986--7714987.cif.
;
_cod_database_code               7714987
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.969
_shelx_estimated_absorpt_t_max   0.984
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P -0.0210(16) 0.4226(13) 0.5130(7) 0.0242(10) Uani 0.4862(7) 1 d D U P A 1
O1 O -0.0689(4) 0.3760(3) 0.5837(2) 0.0353(9) Uani 0.4862(7) 1 d D . P A 1
P2 P -0.0229(16) 0.4105(13) 0.5218(7) 0.0242(10) Uani 0.4862(7) 1 d . U P A 2
P3 P 0.037(2) 0.4859(19) 0.4545(13) 0.0242(10) Uani 0.0276(14) 1 d D U P A 3
O3 O 0.119(10) 0.5337(16) 0.392(4) 0.0353(9) Uani 0.0138(7) 1 d D . P A 3
P11 P 0.5328(6) 0.0751(7) 1.0131(4) 0.0256(9) Uani 0.5 1 d . . P B 4
O11 O 0.6028(4) 0.1154(3) 1.0848(2) 0.0384(9) Uani 0.5 1 d . . P B 4
P12 P 0.5563(6) 0.0889(7) 1.0279(4) 0.0238(9) Uani 0.5 1 d . . P B 5
C1 C 0.0104(2) 0.3127(2) 0.44138(13) 0.0225(5) Uani 1 1 d D . . . .
C2 C 0.1239(2) 0.2683(2) 0.44352(13) 0.0215(5) Uani 1 1 d . . . . .
C3 C 0.2361(2) 0.2957(2) 0.50099(13) 0.0243(5) Uani 1 1 d . . . . .
C4 C 0.3225(2) 0.2111(2) 0.47304(14) 0.0287(5) Uani 1 1 d . . . . .
H4A H 0.410567 0.256854 0.465105 0.034 Uiso 1 1 calc R U . . .
H4B H 0.326621 0.154506 0.511841 0.034 Uiso 1 1 calc R U . . .
C5 C 0.2674(2) 0.1443(2) 0.39843(14) 0.0249(5) Uani 1 1 d . . . . .
C6 C 0.1420(2) 0.1833(2) 0.38870(13) 0.0220(5) Uani 1 1 d . . . . .
C7 C 0.0515(2) 0.1389(2) 0.33246(13) 0.0254(5) Uani 1 1 d . . . . .
H7 H 0.066618 0.082502 0.295025 0.030 Uiso 1 1 calc R U . . .
C8 C -0.0613(2) 0.1776(2) 0.33131(13) 0.0225(5) Uani 1 1 d . . . . .
C9 C -0.1736(2) 0.1341(2) 0.27651(13) 0.0244(5) Uani 1 1 d . . . . .
C10 C -0.2806(2) 0.1798(2) 0.31829(14) 0.0281(5) Uani 1 1 d . . . . .
H10A H -0.333785 0.116256 0.346230 0.034 Uiso 1 1 calc R U . . .
H10B H -0.336487 0.205802 0.281349 0.034 Uiso 1 1 calc R U . . .
C11 C -0.2189(2) 0.2839(2) 0.37404(13) 0.0248(5) Uani 1 1 d . . . . .
C12 C -0.0834(2) 0.26288(19) 0.38558(13) 0.0219(5) Uani 1 1 d . . . . .
C13 C 0.3104(2) 0.4237(2) 0.50165(15) 0.0328(6) Uani 1 1 d . . . . .
H13A H 0.339396 0.442188 0.450534 0.049 Uiso 1 1 calc R U . . .
H13B H 0.384726 0.435417 0.536000 0.049 Uiso 1 1 calc R U . . .
H13C H 0.254514 0.475340 0.518842 0.049 Uiso 1 1 calc R U . . .
C14 C 0.1909(2) 0.2658(2) 0.58149(14) 0.0334(6) Uani 1 1 d . . . . .
H14A H 0.137551 0.319191 0.599746 0.050 Uiso 1 1 calc R U . . .
H14B H 0.265502 0.274589 0.615294 0.050 Uiso 1 1 calc R U . . .
H14C H 0.140757 0.184739 0.580515 0.050 Uiso 1 1 calc R U . . .
C15 C 0.3552(2) 0.1779(2) 0.32983(15) 0.0325(6) Uani 1 1 d . . . . .
H15A H 0.434791 0.150140 0.337562 0.039 Uiso 1 1 calc R U . . .
H15B H 0.311358 0.134763 0.283964 0.039 Uiso 1 1 calc R U . . .
C16 C 0.3923(3) 0.3076(3) 0.31480(16) 0.0386(6) Uani 1 1 d . . . . .
H16A H 0.442978 0.317925 0.268850 0.058 Uiso 1 1 calc R U . . .
H16B H 0.443047 0.350984 0.357688 0.058 Uiso 1 1 calc R U . . .
H16C H 0.314625 0.337314 0.308180 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2443(2) 0.0096(2) 0.40140(16) 0.0357(6) Uani 1 1 d . . . . .
H17A H 0.217128 -0.026204 0.350315 0.043 Uiso 1 1 calc R U . . .
H17B H 0.326804 -0.010198 0.413812 0.043 Uiso 1 1 calc R U . . .
C18 C 0.1462(3) -0.0460(3) 0.45698(19) 0.0495(8) Uani 1 1 d . . . . .
H18A H 0.065062 -0.023468 0.447466 0.074 Uiso 1 1 calc R U . . .
H18B H 0.176826 -0.019089 0.508548 0.074 Uiso 1 1 calc R U . . .
H18C H 0.133114 -0.131570 0.451012 0.074 Uiso 1 1 calc R U . . .
C19 C -0.1481(2) 0.1902(2) 0.19962(14) 0.0318(6) Uani 1 1 d . . . . .
H19A H -0.228449 0.168592 0.169030 0.038 Uiso 1 1 calc R U . . .
H19B H -0.127775 0.276510 0.209050 0.038 Uiso 1 1 calc R U . . .
C20 C -0.0417(3) 0.1572(3) 0.15286(15) 0.0390(7) Uani 1 1 d . . . . .
H20A H -0.062921 0.072574 0.139918 0.059 Uiso 1 1 calc R U . . .
H20B H 0.038892 0.178234 0.182068 0.059 Uiso 1 1 calc R U . . .
H20C H -0.032546 0.199662 0.106413 0.059 Uiso 1 1 calc R U . . .
C21 C -0.2080(2) -0.0011(2) 0.26737(15) 0.0314(6) Uani 1 1 d . . . . .
H21A H -0.135972 -0.028060 0.242930 0.038 Uiso 1 1 calc R U . . .
H21B H -0.218184 -0.032718 0.318114 0.038 Uiso 1 1 calc R U . . .
C22 C -0.3305(3) -0.0513(2) 0.22064(17) 0.0401(7) Uani 1 1 d . . . . .
H22A H -0.318321 -0.026844 0.168737 0.060 Uiso 1 1 calc R U . . .
H22B H -0.401682 -0.022029 0.242994 0.060 Uiso 1 1 calc R U . . .
H22C H -0.350066 -0.137148 0.220265 0.060 Uiso 1 1 calc R U . . .
C23 C -0.2144(2) 0.4021(2) 0.33878(14) 0.0291(5) Uani 1 1 d . . . . .
H23A H -0.173947 0.402064 0.289350 0.044 Uiso 1 1 calc R U . . .
H23B H -0.164731 0.466124 0.372024 0.044 Uiso 1 1 calc R U . . .
H23C H -0.301796 0.413246 0.332577 0.044 Uiso 1 1 calc R U . . .
C24 C -0.2981(2) 0.2740(2) 0.44642(14) 0.0312(6) Uani 1 1 d . . . . .
H24A H -0.386201 0.278148 0.434176 0.047 Uiso 1 1 calc R U . . .
H24B H -0.260190 0.338600 0.482953 0.047 Uiso 1 1 calc R U . . .
H24C H -0.298310 0.198968 0.468266 0.047 Uiso 1 1 calc R U . . .
C25 C 0.5250(2) 0.1902(2) 0.95231(13) 0.0245(5) Uani 1 1 d . . . . .
C26 C 0.6170(2) 0.2253(2) 0.89607(13) 0.0242(5) Uani 1 1 d . . . . .
C27 C 0.7410(2) 0.1842(2) 0.87751(14) 0.0262(5) Uani 1 1 d . . . . .
C28 C 0.8094(2) 0.2787(2) 0.82468(15) 0.0306(6) Uani 1 1 d . . . . .
H28A H 0.875330 0.337790 0.853698 0.037 Uiso 1 1 calc R U . . .
H28B H 0.852337 0.241662 0.783891 0.037 Uiso 1 1 calc R U . . .
C29 C 0.7096(2) 0.3390(2) 0.79003(13) 0.0247(5) Uani 1 1 d . . . . .
C30 C 0.6009(2) 0.3108(2) 0.84658(13) 0.0234(5) Uani 1 1 d . . . . .
C31 C 0.4968(2) 0.3625(2) 0.85142(13) 0.0245(5) Uani 1 1 d . . . . .
H31 H 0.486953 0.419493 0.817197 0.029 Uiso 1 1 calc R U . . .
C32 C 0.4069(2) 0.3300(2) 0.90692(13) 0.0239(5) Uani 1 1 d . . . . .
C33 C 0.2847(2) 0.3744(2) 0.91856(13) 0.0249(5) Uani 1 1 d . . . . .
C34 C 0.2538(2) 0.3413(2) 1.00069(13) 0.0272(5) Uani 1 1 d . . . . .
H34A H 0.159885 0.318691 1.006902 0.033 Uiso 1 1 calc R U . . .
H34B H 0.288674 0.409447 1.036235 0.033 Uiso 1 1 calc R U . . .
C35 C 0.3148(2) 0.2373(2) 1.01796(13) 0.0250(5) Uani 1 1 d . . . . .
C36 C 0.4217(2) 0.2480(2) 0.95897(13) 0.0239(5) Uani 1 1 d . . . . .
C37 C 0.8293(2) 0.1842(2) 0.94583(15) 0.0320(6) Uani 1 1 d . . . . .
H37A H 0.905057 0.156352 0.929315 0.048 Uiso 1 1 calc R U . . .
H37B H 0.783328 0.132090 0.982856 0.048 Uiso 1 1 calc R U . . .
H37C H 0.855991 0.264006 0.968988 0.048 Uiso 1 1 calc R U . . .
C38 C 0.7085(2) 0.0612(2) 0.83672(15) 0.0309(6) Uani 1 1 d . . . . .
H38A H 0.658107 0.063173 0.790712 0.046 Uiso 1 1 calc R U . . .
H38B H 0.658817 0.004984 0.870171 0.046 Uiso 1 1 calc R U . . .
H38C H 0.787954 0.037326 0.823331 0.046 Uiso 1 1 calc R U . . .
C39 C 0.7613(2) 0.4727(2) 0.79081(15) 0.0312(6) Uani 1 1 d . . . . .
H39A H 0.690844 0.509215 0.775607 0.037 Uiso 1 1 calc R U . . .
H39B H 0.787466 0.502365 0.843244 0.037 Uiso 1 1 calc R U . . .
C40 C 0.8745(3) 0.5126(2) 0.73941(17) 0.0412(7) Uani 1 1 d . . . . .
H40A H 0.847890 0.489503 0.686728 0.062 Uiso 1 1 calc R U . . .
H40B H 0.944372 0.475688 0.753063 0.062 Uiso 1 1 calc R U . . .
H40C H 0.903948 0.598081 0.745415 0.062 Uiso 1 1 calc R U . . .
C41 C 0.6687(2) 0.2839(2) 0.71014(14) 0.0338(6) Uani 1 1 d . . . . .
H41A H 0.746285 0.293379 0.678920 0.041 Uiso 1 1 calc R U . . .
H41B H 0.634772 0.198602 0.714107 0.041 Uiso 1 1 calc R U . . .
C42 C 0.5694(3) 0.3320(3) 0.66830(15) 0.0424(7) Uani 1 1 d . . . . .
H42A H 0.554307 0.293046 0.617626 0.064 Uiso 1 1 calc R U . . .
H42B H 0.600700 0.416656 0.664153 0.064 Uiso 1 1 calc R U . . .
H42C H 0.489160 0.317437 0.696138 0.064 Uiso 1 1 calc R U . . .
C43 C 0.3071(3) 0.5080(2) 0.91118(15) 0.0327(6) Uani 1 1 d . . . . .
H43A H 0.374575 0.548152 0.948147 0.039 Uiso 1 1 calc R U . . .
H43B H 0.339314 0.526377 0.860025 0.039 Uiso 1 1 calc R U . . .
C44 C 0.1881(3) 0.5572(3) 0.92399(18) 0.0470(8) Uani 1 1 d . . . . .
H44A H 0.210054 0.642283 0.919245 0.071 Uiso 1 1 calc R U . . .
H44B H 0.155863 0.540302 0.974716 0.071 Uiso 1 1 calc R U . . .
H44C H 0.121908 0.520632 0.886239 0.071 Uiso 1 1 calc R U . . .
C45 C 0.1776(2) 0.3060(2) 0.86374(14) 0.0287(5) Uani 1 1 d . . . . .
H45A H 0.171816 0.221097 0.867849 0.034 Uiso 1 1 calc R U . . .
H45B H 0.095167 0.322469 0.880803 0.034 Uiso 1 1 calc R U . . .
C46 C 0.1927(2) 0.3326(2) 0.78077(14) 0.0351(6) Uani 1 1 d . . . . .
H46A H 0.274223 0.317393 0.762868 0.053 Uiso 1 1 calc R U . . .
H46B H 0.191834 0.415077 0.775001 0.053 Uiso 1 1 calc R U . . .
H46C H 0.121931 0.282264 0.751040 0.053 Uiso 1 1 calc R U . . .
C47 C 0.3652(2) 0.2551(2) 1.09992(14) 0.0305(6) Uani 1 1 d . . . . .
H47A H 0.399736 0.187767 1.112702 0.046 Uiso 1 1 calc R U . . .
H47B H 0.295060 0.262100 1.133847 0.046 Uiso 1 1 calc R U . . .
H47C H 0.433042 0.326845 1.105582 0.046 Uiso 1 1 calc R U . . .
C48 C 0.2171(2) 0.1197(2) 1.00710(14) 0.0294(5) Uani 1 1 d . . . . .
H48A H 0.180711 0.111048 0.955693 0.044 Uiso 1 1 calc R U . . .
H48B H 0.148398 0.117586 1.043637 0.044 Uiso 1 1 calc R U . . .
H48C H 0.259599 0.055379 1.015016 0.044 Uiso 1 1 calc R U . . .
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 C1 114.9(9) . . ?
O1 P1 P1 128.9(14) . 2_566 ?
C1 P1 P1 116.1(10) . 2_566 ?
C1 P2 P2 104.5(8) . 2_566 ?
O3 P3 C1 106.2(14) . . ?
P3 P3 C1 105.3(17) 2_566 . ?
O11 P11 C25 114.2(5) . . ?
P11 P11 C25 122.6(6) 2_657 . ?
C25 P12 P12 98.7(4) . 2_657 ?
C12 C1 C2 117.7(2) . . ?
C12 C1 P1 120.1(6) . . ?
C2 C1 P1 122.0(6) . . ?
C12 C1 P2 121.9(6) . . ?
C2 C1 P2 119.2(6) . . ?
C12 C1 P3 112.7(7) . . ?
C2 C1 P3 115.5(6) . . ?
C6 C2 C1 119.8(2) . . ?
C6 C2 C3 110.17(19) . . ?
C1 C2 C3 130.0(2) . . ?
C13 C3 C2 112.4(2) . . ?
C13 C3 C14 109.7(2) . . ?
C2 C3 C14 111.63(19) . . ?
C13 C3 C4 110.65(19) . . ?
C2 C3 C4 103.36(18) . . ?
C14 C3 C4 108.9(2) . . ?
C5 C4 C3 109.97(18) . . ?
C5 C4 H4A 109.7 . . ?
C3 C4 H4A 109.7 . . ?
C5 C4 H4B 109.7 . . ?
C3 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
C6 C5 C4 102.44(18) . . ?
C6 C5 C17 111.48(19) . . ?
C4 C5 C17 113.3(2) . . ?
C6 C5 C15 110.35(19) . . ?
C4 C5 C15 113.07(19) . . ?
C17 C5 C15 106.33(19) . . ?
C7 C6 C2 121.7(2) . . ?
C7 C6 C5 124.5(2) . . ?
C2 C6 C5 113.8(2) . . ?
C6 C7 C8 119.2(2) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
C7 C8 C12 120.8(2) . . ?
C7 C8 C9 126.3(2) . . ?
C12 C8 C9 112.85(19) . . ?
C8 C9 C21 111.15(19) . . ?
C8 C9 C19 111.47(19) . . ?
C21 C9 C19 111.9(2) . . ?
C8 C9 C10 101.02(18) . . ?
C21 C9 C10 110.53(19) . . ?
C19 C9 C10 110.3(2) . . ?
C9 C10 C11 109.09(18) . . ?
C9 C10 H10A 109.9 . . ?
C11 C10 H10A 109.9 . . ?
C9 C10 H10B 109.9 . . ?
C11 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C24 C11 C12 113.4(2) . . ?
C24 C11 C23 110.91(19) . . ?
C12 C11 C23 111.42(18) . . ?
C24 C11 C10 107.91(19) . . ?
C12 C11 C10 101.96(18) . . ?
C23 C11 C10 110.9(2) . . ?
C8 C12 C1 120.6(2) . . ?
C8 C12 C11 109.86(19) . . ?
C1 C12 C11 129.5(2) . . ?
C3 C13 H13A 109.5 . . ?
C3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C3 C14 H14A 109.5 . . ?
C3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C5 116.5(2) . . ?
C16 C15 H15A 108.2 . . ?
C5 C15 H15A 108.2 . . ?
C16 C15 H15B 108.2 . . ?
C5 C15 H15B 108.2 . . ?
H15A C15 H15B 107.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C5 116.1(2) . . ?
C18 C17 H17A 108.3 . . ?
C5 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
C5 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C9 116.7(2) . . ?
C20 C19 H19A 108.1 . . ?
C9 C19 H19A 108.1 . . ?
C20 C19 H19B 108.1 . . ?
C9 C19 H19B 108.1 . . ?
H19A C19 H19B 107.3 . . ?
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 . . ?
C22 C21 C9 113.8(2) . . ?
C22 C21 H21A 108.8 . . ?
C9 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
C9 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C11 C23 H23A 109.5 . . ?
C11 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C11 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C11 C24 H24A 109.5 . . ?
C11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C36 118.1(2) . . ?
C26 C25 P11 122.5(3) . . ?
C36 C25 P11 119.4(3) . . ?
C26 C25 P12 120.2(3) . . ?
C36 C25 P12 120.8(3) . . ?
C30 C26 C25 119.8(2) . . ?
C30 C26 C27 109.91(19) . . ?
C25 C26 C27 130.3(2) . . ?
C37 C27 C38 109.7(2) . . ?
C37 C27 C26 114.7(2) . . ?
C38 C27 C26 110.14(19) . . ?
C37 C27 C28 108.49(19) . . ?
C38 C27 C28 111.6(2) . . ?
C26 C27 C28 102.10(19) . . ?
C29 C28 C27 109.40(19) . . ?
C29 C28 H28A 109.8 . . ?
C27 C28 H28A 109.8 . . ?
C29 C28 H28B 109.8 . . ?
C27 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
C30 C29 C39 109.59(19) . . ?
C30 C29 C41 112.25(19) . . ?
C39 C29 C41 112.5(2) . . ?
C30 C29 C28 100.94(18) . . ?
C39 C29 C28 110.88(19) . . ?
C41 C29 C28 110.1(2) . . ?
C31 C30 C26 121.5(2) . . ?
C31 C30 C29 125.6(2) . . ?
C26 C30 C29 112.9(2) . . ?
C30 C31 C32 119.2(2) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C31 C32 C36 121.1(2) . . ?
C31 C32 C33 126.2(2) . . ?
C36 C32 C33 112.74(19) . . ?
C32 C33 C43 112.19(19) . . ?
C32 C33 C45 110.29(19) . . ?
C43 C33 C45 111.5(2) . . ?
C32 C33 C34 100.50(19) . . ?
C43 C33 C34 111.51(19) . . ?
C45 C33 C34 110.34(19) . . ?
C33 C34 C35 108.76(18) . . ?
C33 C34 H34A 109.9 . . ?
C35 C34 H34A 109.9 . . ?
C33 C34 H34B 109.9 . . ?
C35 C34 H34B 109.9 . . ?
H34A C34 H34B 108.3 . . ?
C48 C35 C47 109.7(2) . . ?
C48 C35 C36 111.65(19) . . ?
C47 C35 C36 113.60(19) . . ?
C48 C35 C34 111.3(2) . . ?
C47 C35 C34 108.41(19) . . ?
C36 C35 C34 101.97(18) . . ?
C32 C36 C25 120.1(2) . . ?
C32 C36 C35 109.74(19) . . ?
C25 C36 C35 130.1(2) . . ?
C27 C37 H37A 109.5 . . ?
C27 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C27 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C27 C38 H38A 109.5 . . ?
C27 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C27 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C29 114.9(2) . . ?
C40 C39 H39A 108.5 . . ?
C29 C39 H39A 108.5 . . ?
C40 C39 H39B 108.5 . . ?
C29 C39 H39B 108.5 . . ?
H39A C39 H39B 107.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C29 117.0(2) . . ?
C42 C41 H41A 108.1 . . ?
C29 C41 H41A 108.1 . . ?
C42 C41 H41B 108.1 . . ?
C29 C41 H41B 108.1 . . ?
H41A C41 H41B 107.3 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C33 114.2(2) . . ?
C44 C43 H43A 108.7 . . ?
C33 C43 H43A 108.7 . . ?
C44 C43 H43B 108.7 . . ?
C33 C43 H43B 108.7 . . ?
H43A C43 H43B 107.6 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C33 116.3(2) . . ?
C46 C45 H45A 108.2 . . ?
C33 C45 H45A 108.2 . . ?
C46 C45 H45B 108.2 . . ?
C33 C45 H45B 108.2 . . ?
H45A C45 H45B 107.4 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C35 C47 H47A 109.5 . . ?
C35 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C35 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C35 C48 H48A 109.5 . . ?
C35 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C35 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
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 1.446(12) . ?
P1 C1 1.842(16) . ?
P1 P1 1.85(3) 2_566 ?
P2 C1 1.864(15) . ?
P2 P2 2.23(3) 2_566 ?
P3 O3 1.47(2) . ?
P3 P3 1.85(4) 2_566 ?
P3 C1 1.98(2) . ?
P11 O11 1.471(5) . ?
P11 P11 1.776(14) 2_657 ?
P11 C25 1.789(9) . ?
P12 C25 1.917(8) . ?
P12 P12 2.325(11) 2_657 ?
C1 C12 1.411(3) . ?
C1 C2 1.426(3) . ?
C2 C6 1.397(3) . ?
C2 C3 1.538(3) . ?
C3 C13 1.531(3) . ?
C3 C14 1.544(3) . ?
C3 C4 1.563(3) . ?
C4 C5 1.542(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.524(3) . ?
C5 C17 1.545(3) . ?
C5 C15 1.556(3) . ?
C6 C7 1.382(3) . ?
C7 C8 1.383(3) . ?
C7 H7 0.9500 . ?
C8 C12 1.406(3) . ?
C8 C9 1.518(3) . ?
C9 C21 1.542(3) . ?
C9 C19 1.546(3) . ?
C9 C10 1.546(3) . ?
C10 C11 1.547(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C24 1.538(3) . ?
C11 C12 1.539(3) . ?
C11 C23 1.543(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.520(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.509(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.519(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.531(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.419(3) . ?
C25 C36 1.422(3) . ?
C26 C30 1.407(3) . ?
C26 C27 1.542(3) . ?
C27 C37 1.533(3) . ?
C27 C38 1.540(3) . ?
C27 C28 1.549(3) . ?
C28 C29 1.549(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.532(3) . ?
C29 C39 1.540(3) . ?
C29 C41 1.542(3) . ?
C30 C31 1.384(3) . ?
C31 C32 1.389(3) . ?
C31 H31 0.9500 . ?
C32 C36 1.403(3) . ?
C32 C33 1.524(3) . ?
C33 C43 1.543(3) . ?
C33 C45 1.546(3) . ?
C33 C34 1.547(3) . ?
C34 C35 1.551(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C48 1.534(3) . ?
C35 C47 1.534(3) . ?
C35 C36 1.544(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.525(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.519(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.526(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.523(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
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
O1 P1 C1 C12 95.4(10) . . . . ?
P1 P1 C1 C12 -87.9(15) 2_566 . . . ?
O1 P1 C1 C2 -79.6(11) . . . . ?
P1 P1 C1 C2 97.2(14) 2_566 . . . ?
P2 P2 C1 C12 -88.0(11) 2_566 . . . ?
P2 P2 C1 C2 104.4(10) 2_566 . . . ?
C12 C1 C2 C6 3.7(3) . . . . ?
P1 C1 C2 C6 178.7(5) . . . . ?
P2 C1 C2 C6 171.8(5) . . . . ?
P3 C1 C2 C6 -133.5(7) . . . . ?
C12 C1 C2 C3 -173.7(2) . . . . ?
P1 C1 C2 C3 1.4(6) . . . . ?
P2 C1 C2 C3 -5.6(6) . . . . ?
P3 C1 C2 C3 49.1(8) . . . . ?
C6 C2 C3 C13 117.9(2) . . . . ?
C1 C2 C3 C13 -64.5(3) . . . . ?
C6 C2 C3 C14 -118.3(2) . . . . ?
C1 C2 C3 C14 59.2(3) . . . . ?
C6 C2 C3 C4 -1.4(2) . . . . ?
C1 C2 C3 C4 176.1(2) . . . . ?
C13 C3 C4 C5 -116.2(2) . . . . ?
C2 C3 C4 C5 4.3(2) . . . . ?
C14 C3 C4 C5 123.1(2) . . . . ?
C3 C4 C5 C6 -5.3(2) . . . . ?
C3 C4 C5 C17 -125.5(2) . . . . ?
C3 C4 C5 C15 113.4(2) . . . . ?
C1 C2 C6 C7 -1.0(3) . . . . ?
C3 C2 C6 C7 176.8(2) . . . . ?
C1 C2 C6 C5 -179.9(2) . . . . ?
C3 C2 C6 C5 -2.0(3) . . . . ?
C4 C5 C6 C7 -174.2(2) . . . . ?
C17 C5 C6 C7 -52.8(3) . . . . ?
C15 C5 C6 C7 65.1(3) . . . . ?
C4 C5 C6 C2 4.6(3) . . . . ?
C17 C5 C6 C2 126.0(2) . . . . ?
C15 C5 C6 C2 -116.1(2) . . . . ?
C2 C6 C7 C8 -1.5(3) . . . . ?
C5 C6 C7 C8 177.2(2) . . . . ?
C6 C7 C8 C12 1.3(3) . . . . ?
C6 C7 C8 C9 -176.6(2) . . . . ?
C7 C8 C9 C21 46.0(3) . . . . ?
C12 C8 C9 C21 -132.1(2) . . . . ?
C7 C8 C9 C19 -79.6(3) . . . . ?
C12 C8 C9 C19 102.3(2) . . . . ?
C7 C8 C9 C10 163.3(2) . . . . ?
C12 C8 C9 C10 -14.8(3) . . . . ?
C8 C9 C10 C11 22.4(2) . . . . ?
C21 C9 C10 C11 140.2(2) . . . . ?
C19 C9 C10 C11 -95.6(2) . . . . ?
C9 C10 C11 C24 -141.4(2) . . . . ?
C9 C10 C11 C12 -21.8(2) . . . . ?
C9 C10 C11 C23 96.9(2) . . . . ?
C7 C8 C12 C1 1.4(3) . . . . ?
C9 C8 C12 C1 179.6(2) . . . . ?
C7 C8 C12 C11 -176.5(2) . . . . ?
C9 C8 C12 C11 1.6(3) . . . . ?
C2 C1 C12 C8 -3.9(3) . . . . ?
P1 C1 C12 C8 -179.0(5) . . . . ?
P2 C1 C12 C8 -171.7(5) . . . . ?
P3 C1 C12 C8 134.5(7) . . . . ?
C2 C1 C12 C11 173.7(2) . . . . ?
P1 C1 C12 C11 -1.5(5) . . . . ?
P2 C1 C12 C11 5.9(6) . . . . ?
P3 C1 C12 C11 -48.0(7) . . . . ?
C24 C11 C12 C8 128.1(2) . . . . ?
C23 C11 C12 C8 -106.0(2) . . . . ?
C10 C11 C12 C8 12.3(2) . . . . ?
C24 C11 C12 C1 -49.7(3) . . . . ?
C23 C11 C12 C1 76.3(3) . . . . ?
C10 C11 C12 C1 -165.4(2) . . . . ?
C6 C5 C15 C16 59.0(3) . . . . ?
C4 C5 C15 C16 -55.1(3) . . . . ?
C17 C5 C15 C16 -180.0(2) . . . . ?
C6 C5 C17 C18 -51.4(3) . . . . ?
C4 C5 C17 C18 63.5(3) . . . . ?
C15 C5 C17 C18 -171.7(2) . . . . ?
C8 C9 C19 C20 66.5(3) . . . . ?
C21 C9 C19 C20 -58.7(3) . . . . ?
C10 C9 C19 C20 177.9(2) . . . . ?
C8 C9 C21 C22 172.8(2) . . . . ?
C19 C9 C21 C22 -61.9(3) . . . . ?
C10 C9 C21 C22 61.5(3) . . . . ?
O11 P11 C25 C26 91.9(6) . . . . ?
P11 P11 C25 C26 -85.6(8) 2_657 . . . ?
O11 P11 C25 C36 -89.3(5) . . . . ?
P11 P11 C25 C36 93.1(9) 2_657 . . . ?
C36 C25 C26 C30 -3.1(3) . . . . ?
P11 C25 C26 C30 175.6(3) . . . . ?
P12 C25 C26 C30 -172.2(3) . . . . ?
C36 C25 C26 C27 176.9(2) . . . . ?
P11 C25 C26 C27 -4.3(4) . . . . ?
P12 C25 C26 C27 7.9(4) . . . . ?
C30 C26 C27 C37 130.5(2) . . . . ?
C25 C26 C27 C37 -49.6(3) . . . . ?
C30 C26 C27 C38 -105.3(2) . . . . ?
C25 C26 C27 C38 74.7(3) . . . . ?
C30 C26 C27 C28 13.4(3) . . . . ?
C25 C26 C27 C28 -166.6(2) . . . . ?
C37 C27 C28 C29 -142.9(2) . . . . ?
C38 C27 C28 C29 96.2(2) . . . . ?
C26 C27 C28 C29 -21.4(3) . . . . ?
C27 C28 C29 C30 20.9(2) . . . . ?
C27 C28 C29 C39 136.9(2) . . . . ?
C27 C28 C29 C41 -97.9(2) . . . . ?
C25 C26 C30 C31 0.2(3) . . . . ?
C27 C26 C30 C31 -179.8(2) . . . . ?
C25 C26 C30 C29 179.5(2) . . . . ?
C27 C26 C30 C29 -0.6(3) . . . . ?
C39 C29 C30 C31 49.7(3) . . . . ?
C41 C29 C30 C31 -76.0(3) . . . . ?
C28 C29 C30 C31 166.7(2) . . . . ?
C39 C29 C30 C26 -129.5(2) . . . . ?
C41 C29 C30 C26 104.8(2) . . . . ?
C28 C29 C30 C26 -12.5(3) . . . . ?
C26 C30 C31 C32 0.6(3) . . . . ?
C29 C30 C31 C32 -178.5(2) . . . . ?
C30 C31 C32 C36 1.5(3) . . . . ?
C30 C31 C32 C33 -177.7(2) . . . . ?
C31 C32 C33 C43 -43.2(3) . . . . ?
C36 C32 C33 C43 137.6(2) . . . . ?
C31 C32 C33 C45 81.8(3) . . . . ?
C36 C32 C33 C45 -97.4(2) . . . . ?
C31 C32 C33 C34 -161.7(2) . . . . ?
C36 C32 C33 C34 19.0(2) . . . . ?
C32 C33 C34 C35 -25.1(2) . . . . ?
C43 C33 C34 C35 -144.2(2) . . . . ?
C45 C33 C34 C35 91.3(2) . . . . ?
C33 C34 C35 C48 -96.8(2) . . . . ?
C33 C34 C35 C47 142.5(2) . . . . ?
C33 C34 C35 C36 22.4(2) . . . . ?
C31 C32 C36 C25 -4.5(3) . . . . ?
C33 C32 C36 C25 174.7(2) . . . . ?
C31 C32 C36 C35 175.0(2) . . . . ?
C33 C32 C36 C35 -5.8(3) . . . . ?
C26 C25 C36 C32 5.2(3) . . . . ?
P11 C25 C36 C32 -173.5(3) . . . . ?
P12 C25 C36 C32 174.2(2) . . . . ?
C26 C25 C36 C35 -174.1(2) . . . . ?
P11 C25 C36 C35 7.1(4) . . . . ?
P12 C25 C36 C35 -5.2(4) . . . . ?
C48 C35 C36 C32 108.7(2) . . . . ?
C47 C35 C36 C32 -126.7(2) . . . . ?
C34 C35 C36 C32 -10.3(2) . . . . ?
C48 C35 C36 C25 -71.9(3) . . . . ?
C47 C35 C36 C25 52.7(3) . . . . ?
C34 C35 C36 C25 169.2(2) . . . . ?
C30 C29 C39 C40 177.3(2) . . . . ?
C41 C29 C39 C40 -57.1(3) . . . . ?
C28 C29 C39 C40 66.7(3) . . . . ?
C30 C29 C41 C42 67.6(3) . . . . ?
C39 C29 C41 C42 -56.5(3) . . . . ?
C28 C29 C41 C42 179.2(2) . . . . ?
C32 C33 C43 C44 -178.8(2) . . . . ?
C45 C33 C43 C44 56.9(3) . . . . ?
C34 C33 C43 C44 -66.9(3) . . . . ?
C32 C33 C45 C46 -71.8(3) . . . . ?
C43 C33 C45 C46 53.6(3) . . . . ?
C34 C33 C45 C46 178.1(2) . . . . ?
