#------------------------------------------------------------------------------
#$Date: 2019-02-20 01:20:07 +0200 (Wed, 20 Feb 2019) $
#$Revision: 213711 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/06/1550624.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_1550624
loop_
_publ_author_name
'Jiang, Xin-Dong'
'Toya, Yuya'
'Matsukawa, Shiro'
'Kojima, Satoshi'
'Jimenez-Halla, Jose Oscar Carlos'
'Shang, Rong'
'Nakamoto, Masaaki'
'Yamamoto, Yohsuke'
_publ_section_title
;
 Synthesis and characterization of a pair of O-fac/O-mer 12-P-6
 alkyloxaphosphates with a P-O-C-C four-membered ring
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC05158E
_journal_year                    2019
_chemical_formula_sum            'C56 H60 F20 K O11 P'
_chemical_formula_weight         1359.11
_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
;
2018-07-19 deposited with the CCDC.    2019-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                105.470(2)
_cell_angle_beta                 92.070(3)
_cell_angle_gamma                96.064(3)
_cell_formula_units_Z            2
_cell_length_a                   11.030(2)
_cell_length_b                   12.802(3)
_cell_length_c                   23.276(5)
_cell_measurement_reflns_used    8857
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.58
_cell_measurement_theta_min      2.34
_cell_volume                     3142.8(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8749
_diffrn_reflns_theta_full        19.55
_diffrn_reflns_theta_max         19.55
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.225
_exptl_absorpt_correction_T_max  0.9911
_exptl_absorpt_correction_T_min  0.9801
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.142
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     805
_refine_ls_number_reflns         5427
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0763
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1403P)²+12.0050P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2252
_refine_ls_wR_factor_ref         0.2361
_reflns_number_gt                4429
_reflns_number_total             5427
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8sc05158e2.cif
_cod_data_source_block           exp111
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        3143.0(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1550624
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
F1 F -0.2442(4) 0.0277(4) 0.3699(2) 0.0545(13) Uani 1 1 d .
F2 F -0.1710(4) -0.0666(4) 0.4254(2) 0.0630(14) Uani 1 1 d .
F3 F -0.3438(5) -0.1856(5) 0.3542(2) 0.0830(18) Uani 1 1 d .
F4 F -0.2876(4) -0.1368(4) 0.2778(2) 0.0598(14) Uani 1 1 d .
F5 F -0.1819(5) -0.2389(4) 0.3136(3) 0.0785(17) Uani 1 1 d .
F6 F 0.0660(4) -0.0222(4) 0.4453(2) 0.0630(14) Uani 1 1 d .
F7 F 0.1683(4) -0.0259(4) 0.3672(2) 0.0506(12) Uani 1 1 d .
F8 F 0.1736(5) -0.1992(5) 0.4010(3) 0.0865(18) Uani 1 1 d .
F9 F -0.0207(5) -0.2294(5) 0.4028(3) 0.0787(17) Uani 1 1 d .
F10 F 0.0612(5) -0.2426(4) 0.3190(3) 0.0647(14) Uani 1 1 d .
F11 F 0.3674(4) 0.0119(4) 0.1404(2) 0.0571(13) Uani 1 1 d .
F12 F 0.2004(4) 0.0781(4) 0.12451(19) 0.0526(13) Uani 1 1 d .
F13 F 0.4033(5) 0.2190(5) 0.1704(3) 0.0809(17) Uani 1 1 d .
F14 F 0.2436(5) 0.2426(4) 0.2188(2) 0.0617(14) Uani 1 1 d .
F15 F 0.3917(5) 0.1773(4) 0.2532(2) 0.0688(15) Uani 1 1 d .
F16 F 0.3243(4) -0.1653(4) 0.1767(2) 0.0641(14) Uani 1 1 d .
F17 F 0.2077(4) -0.1513(4) 0.2506(2) 0.0539(13) Uani 1 1 d .
F18 F 0.4342(5) -0.1314(5) 0.2852(3) 0.0794(17) Uani 1 1 d .
F19 F 0.4885(4) -0.0076(4) 0.2417(2) 0.0661(15) Uani 1 1 d .
F20 F 0.3725(4) 0.0266(4) 0.3152(2) 0.0584(14) Uani 1 1 d .
P1 P -0.01094(18) 0.04369(17) 0.25012(9) 0.0332(6) Uani 1 1 d .
C1 C 0.0184(7) 0.1442(7) 0.3238(4) 0.039(2) Uani 1 1 d .
C2 C 0.0525(7) 0.2565(7) 0.3356(4) 0.045(2) Uani 1 1 d .
H2 H 0.0748 0.2862 0.3037 0.054 Uiso 1 1 calc R
C3 C 0.0546(8) 0.3256(8) 0.3928(4) 0.056(2) Uani 1 1 d .
H3 H 0.0807 0.4014 0.4001 0.067 Uiso 1 1 calc R
C4 C 0.0188(9) 0.2833(9) 0.4385(4) 0.062(3) Uani 1 1 d .
H4 H 0.0168 0.3312 0.4773 0.075 Uiso 1 1 calc R
C5 C -0.0148(8) 0.1722(9) 0.4296(4) 0.052(2) Uani 1 1 d .
H5 H -0.0398 0.1434 0.4615 0.063 Uiso 1 1 calc R
C6 C -0.0104(7) 0.1049(6) 0.3723(4) 0.037(2) Uani 1 1 d .
C7 C -0.0411(7) -0.0190(7) 0.3530(4) 0.041(2) Uani 1 1 d .
C8 C -0.1739(8) -0.0532(7) 0.3699(4) 0.043(2) Uani 1 1 d .
C9 C -0.2465(9) -0.1529(9) 0.3278(5) 0.058(3) Uani 1 1 d .
C10 C 0.0619(8) -0.0636(7) 0.3852(4) 0.048(2) Uani 1 1 d .
C11 C 0.0667(9) -0.1864(9) 0.3756(5) 0.061(3) Uani 1 1 d .
C12 C -0.0135(7) -0.0765(6) 0.1842(3) 0.038(2) Uani 1 1 d .
C13 C -0.1141(8) -0.1480(7) 0.1533(4) 0.051(2) Uani 1 1 d .
H13 H -0.1927 -0.1426 0.1684 0.061 Uiso 1 1 calc R
C14 C -0.0996(9) -0.2268(8) 0.1006(4) 0.063(3) Uani 1 1 d .
H14 H -0.1679 -0.2769 0.0811 0.075 Uiso 1 1 calc R
C15 C 0.0108(9) -0.2330(8) 0.0767(4) 0.067(3) Uani 1 1 d .
H15 H 0.0183 -0.2844 0.0394 0.081 Uiso 1 1 calc R
C16 C 0.1118(9) -0.1651(8) 0.1061(4) 0.062(3) Uani 1 1 d .
H16 H 0.1894 -0.1700 0.0898 0.075 Uiso 1 1 calc R
C17 C 0.0990(7) -0.0894(7) 0.1599(4) 0.043(2) Uani 1 1 d .
C18 C 0.2023(7) -0.0152(7) 0.2018(3) 0.038(2) Uani 1 1 d .
C19 C 0.2743(7) 0.0615(7) 0.1682(4) 0.047(2) Uani 1 1 d .
C20 C 0.3251(9) 0.1768(8) 0.2049(4) 0.049(2) Uani 1 1 d .
C21 C 0.2831(8) -0.0910(7) 0.2236(4) 0.046(2) Uani 1 1 d .
C22 C 0.3951(8) -0.0500(8) 0.2665(4) 0.052(2) Uani 1 1 d .
C23 C -0.1741(7) 0.0699(6) 0.2418(3) 0.035(2) Uani 1 1 d .
H23 H -0.2302 0.0042 0.2206 0.042 Uiso 1 1 calc R
H23A H -0.2068 0.1087 0.2796 0.042 Uiso 1 1 calc R
C24 C -0.1336(7) 0.1434(6) 0.2025(3) 0.034(2) Uani 1 1 d .
C25 C -0.1577(8) 0.2622(7) 0.2246(3) 0.040(2) Uani 1 1 d .
C26 C -0.2675(9) 0.2899(8) 0.2483(4) 0.052(2) Uani 1 1 d .
H26 H -0.3300 0.2339 0.2499 0.062 Uiso 1 1 calc R
C27 C -0.2867(11) 0.3971(10) 0.2693(4) 0.070(3) Uani 1 1 d .
H27 H -0.3626 0.4148 0.2849 0.084 Uiso 1 1 calc R
C28 C -0.1984(13) 0.4779(9) 0.2680(4) 0.067(3) Uani 1 1 d .
H28 H -0.2115 0.5519 0.2841 0.081 Uiso 1 1 calc R
C29 C -0.0901(11) 0.4541(8) 0.2436(4) 0.067(3) Uani 1 1 d .
H29 H -0.0295 0.5114 0.2417 0.080 Uiso 1 1 calc R
C30 C -0.0688(9) 0.3450(8) 0.2215(4) 0.054(2) Uani 1 1 d .
H30 H 0.0061 0.3280 0.2045 0.065 Uiso 1 1 calc R
C31 C -0.1851(7) 0.0994(6) 0.1377(3) 0.034(2) Uani 1 1 d .
C32 C -0.1080(8) 0.0826(8) 0.0909(4) 0.050(2) Uani 1 1 d .
H32 H -0.0221 0.1001 0.0989 0.061 Uiso 1 1 calc R
C33 C -0.1571(8) 0.0403(8) 0.0326(4) 0.054(2) Uani 1 1 d .
H33 H -0.1042 0.0315 0.0008 0.064 Uiso 1 1 calc R
C34 C -0.2801(9) 0.0108(7) 0.0199(4) 0.044(2) Uani 1 1 d .
H34 H -0.3119 -0.0215 -0.0201 0.053 Uiso 1 1 calc R
C35 C -0.3567(7) 0.0286(6) 0.0655(4) 0.040(2) Uani 1 1 d .
H35 H -0.4425 0.0109 0.0571 0.048 Uiso 1 1 calc R
C36 C -0.3101(7) 0.0718(6) 0.1237(4) 0.037(2) Uani 1 1 d .
H36 H -0.3645 0.0831 0.1549 0.045 Uiso 1 1 calc R
C37 C 0.2883(10) -0.4594(8) -0.1134(5) 0.077(3) Uani 1 1 d .
H37 H 0.2595 -0.4177 -0.1404 0.092 Uiso 1 1 calc R
H37A H 0.2167 -0.4882 -0.0954 0.092 Uiso 1 1 calc R
C38 C 0.3236(9) -0.2985(7) -0.0353(4) 0.057(3) Uani 1 1 d .
H38 H 0.2520 -0.3206 -0.0150 0.068 Uiso 1 1 calc R
H38A H 0.2963 -0.2565 -0.0625 0.068 Uiso 1 1 calc R
C39 C 0.4183(9) -0.2299(7) 0.0093(4) 0.057(3) Uani 1 1 d .
H39 H 0.4919 -0.2116 -0.0108 0.068 Uiso 1 1 calc R
H39A H 0.3874 -0.1610 0.0305 0.068 Uiso 1 1 calc R
C40 C 0.5377(8) -0.2275(7) 0.0961(4) 0.050(2) Uani 1 1 d .
H40 H 0.5095 -0.1573 0.1170 0.059 Uiso 1 1 calc R
H40A H 0.6152 -0.2119 0.0782 0.059 Uiso 1 1 calc R
C41 C 0.5569(9) -0.2938(7) 0.1392(4) 0.054(2) Uani 1 1 d .
H41 H 0.6074 -0.2487 0.1751 0.065 Uiso 1 1 calc R
H41A H 0.4774 -0.3198 0.1520 0.065 Uiso 1 1 calc R
C42 C 0.6471(11) -0.4479(9) 0.1480(4) 0.078(3) Uani 1 1 d .
H42 H 0.5718 -0.4769 0.1632 0.094 Uiso 1 1 calc R
H42A H 0.7008 -0.4023 0.1825 0.094 Uiso 1 1 calc R
C43 C 0.2751(16) -0.6509(16) 0.0713(9) 0.161(7) Uani 1 1 d .
H43 H 0.2702 -0.7172 0.0372 0.194 Uiso 1 1 calc R
H43A H 0.3443 -0.6517 0.0994 0.194 Uiso 1 1 calc R
C44 C 0.166(2) -0.648(3) 0.0999(13) 0.255(15) Uani 1 1 d .
H44 H 0.1807 -0.6532 0.1412 0.306 Uiso 1 1 calc R
H44A H 0.1054 -0.7091 0.0781 0.306 Uiso 1 1 calc R
C45 C 0.120(2) -0.540(2) 0.1010(11) 0.218(12) Uani 1 1 d .
H45 H 0.0359 -0.5520 0.0827 0.262 Uiso 1 1 calc R
H45A H 0.1214 -0.4935 0.1425 0.262 Uiso 1 1 calc R
C46 C 0.2016(17) -0.4896(17) 0.0674(12) 0.209(12) Uani 1 1 d .
H46 H 0.1568 -0.4808 0.0317 0.251 Uiso 1 1 calc R
H46A H 0.2374 -0.4164 0.0920 0.251 Uiso 1 1 calc R
C47 C 0.7621(9) 0.5887(8) 0.4324(4) 0.064(3) Uani 1 1 d .
H47 H 0.8411 0.6331 0.4322 0.077 Uiso 1 1 calc R
H47A H 0.7087 0.5919 0.3980 0.077 Uiso 1 1 calc R
C48 C 0.6941(9) 0.7447(8) 0.4983(5) 0.064(3) Uani 1 1 d .
H48 H 0.6451 0.7578 0.4650 0.077 Uiso 1 1 calc R
H48A H 0.7757 0.7872 0.5017 0.077 Uiso 1 1 calc R
C49 C 0.6344(9) 0.7807(7) 0.5537(5) 0.064(3) Uani 1 1 d .
H49 H 0.6812 0.7644 0.5867 0.076 Uiso 1 1 calc R
H49A H 0.6321 0.8606 0.5636 0.076 Uiso 1 1 calc R
C50 C 0.4450(9) 0.7636(8) 0.5979(4) 0.063(3) Uani 1 1 d .
H50 H 0.4397 0.8428 0.6056 0.076 Uiso 1 1 calc R
H50A H 0.4852 0.7509 0.6338 0.076 Uiso 1 1 calc R
C51 C 0.3214(9) 0.7025(8) 0.5855(4) 0.060(3) Uani 1 1 d .
H51 H 0.2690 0.7314 0.6183 0.073 Uiso 1 1 calc R
H51A H 0.2836 0.7103 0.5479 0.073 Uiso 1 1 calc R
C52 C 0.2176(8) 0.5265(8) 0.5726(4) 0.063(3) Uani 1 1 d .
H52 H 0.1723 0.5309 0.5360 0.075 Uiso 1 1 calc R
H52A H 0.1686 0.5537 0.6071 0.075 Uiso 1 1 calc R
C53 C 0.3692(16) 0.4482(12) 0.3451(7) 0.132(5) Uani 1 1 d .
H53 H 0.2998 0.3941 0.3474 0.158 Uiso 1 1 calc R
H53A H 0.4424 0.4103 0.3346 0.158 Uiso 1 1 calc R
C54 C 0.339(3) 0.511(2) 0.3011(9) 0.248(15) Uani 1 1 d .
H54 H 0.3903 0.4910 0.2666 0.298 Uiso 1 1 calc R
H54A H 0.2526 0.4898 0.2861 0.298 Uiso 1 1 calc R
C55 C 0.358(3) 0.6127(17) 0.3243(12) 0.207(11) Uani 1 1 d .
H55 H 0.2886 0.6493 0.3137 0.249 Uiso 1 1 calc R
H55A H 0.4342 0.6450 0.3117 0.249 Uiso 1 1 calc R
C56 C 0.366(3) 0.6205(16) 0.3878(12) 0.29(2) Uani 1 1 d .
H56 H 0.4304 0.6804 0.4080 0.347 Uiso 1 1 calc R
H56A H 0.2876 0.6390 0.4047 0.347 Uiso 1 1 calc R
O1 O -0.0347(4) -0.0554(4) 0.2923(2) 0.0343(13) Uani 1 1 d .
O2 O 0.1535(4) 0.0484(4) 0.2502(2) 0.0338(13) Uani 1 1 d .
O3 O -0.0040(4) 0.1356(4) 0.2078(2) 0.0362(13) Uani 1 1 d .
K1 K 0.5000 -0.5000 0.0000 0.0438(7) Uani 1 2 d S
O4 O 0.4483(5) -0.2886(4) 0.0509(3) 0.0517(16) Uani 1 1 d .
O5 O 0.3719(5) -0.3911(5) -0.0682(3) 0.0551(16) Uani 1 1 d .
O6 O 0.6178(5) -0.3848(5) 0.1095(2) 0.0549(16) Uani 1 1 d .
O7 O 0.3914(10) 0.5315(8) 0.3986(4) 0.125(3) Uani 1 1 d .
K2 K 0.5000 0.5000 0.5000 0.0567(8) Uani 1 2 d S
O8 O 0.7069(5) 0.6306(5) 0.4861(3) 0.0576(17) Uani 1 1 d .
O9 O 0.5140(5) 0.7267(5) 0.5474(3) 0.0606(17) Uani 1 1 d .
O10 O 0.3322(5) 0.5911(5) 0.5804(3) 0.0601(17) Uani 1 1 d .
O11 O 0.2915(10) -0.5543(10) 0.0506(5) 0.152(4) 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'
K K 0.2009 0.2494 '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
O3 P1 O1 174.1(2) . .
O3 P1 O2 88.8(2) . .
O1 P1 O2 96.8(2) . .
O3 P1 C1 97.1(3) . .
O1 P1 C1 85.0(3) . .
O2 P1 C1 85.2(3) . .
O3 P1 C12 93.7(3) . .
O1 P1 C12 85.2(3) . .
O2 P1 C12 85.3(3) . .
C1 P1 C12 165.5(4) . .
O3 P1 C23 76.5(3) . .
O1 P1 C23 97.9(3) . .
O2 P1 C23 165.1(3) . .
C1 P1 C23 93.7(3) . .
C12 P1 C23 98.2(3) . .
C6 C1 C2 116.7(7) . .
C6 C1 P1 115.4(6) . .
C2 C1 P1 127.5(6) . .
C3 C2 C1 121.7(8) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C4 C3 C2 119.2(9) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 121.8(8) . .
C3 C4 H4 119.1 . .
C5 C4 H4 119.1 . .
C4 C5 C6 117.4(8) . .
C4 C5 H5 121.3 . .
C6 C5 H5 121.3 . .
C1 C6 C5 123.1(8) . .
C1 C6 C7 110.8(7) . .
C5 C6 C7 126.0(8) . .
O1 C7 C6 108.8(6) . .
O1 C7 C8 109.3(6) . .
C6 C7 C8 110.6(7) . .
O1 C7 C10 109.5(6) . .
C6 C7 C10 105.2(6) . .
C8 C7 C10 113.3(6) . .
F2 C8 F1 107.2(6) . .
F2 C8 C9 108.4(7) . .
F1 C8 C9 103.4(7) . .
F2 C8 C7 110.6(7) . .
F1 C8 C7 109.4(6) . .
C9 C8 C7 117.2(7) . .
F4 C9 F3 106.9(8) . .
F4 C9 F5 107.5(8) . .
F3 C9 F5 105.6(8) . .
F4 C9 C8 113.9(8) . .
F3 C9 C8 110.0(8) . .
F5 C9 C8 112.4(8) . .
F7 C10 F6 106.8(7) . .
F7 C10 C11 105.4(7) . .
F6 C10 C11 104.6(7) . .
F7 C10 C7 105.9(6) . .
F6 C10 C7 111.6(7) . .
C11 C10 C7 121.6(8) . .
F10 C11 F9 109.2(8) . .
F10 C11 F8 107.5(8) . .
F9 C11 F8 106.7(8) . .
F10 C11 C10 114.0(8) . .
F9 C11 C10 111.3(8) . .
F8 C11 C10 107.8(8) . .
C17 C12 C13 116.8(7) . .
C17 C12 P1 114.1(6) . .
C13 C12 P1 128.8(6) . .
C14 C13 C12 120.5(8) . .
C14 C13 H13 119.8 . .
C12 C13 H13 119.8 . .
C15 C14 C13 120.8(9) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 120.2(8) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C15 C16 C17 119.2(8) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C16 C17 C12 122.3(8) . .
C16 C17 C18 126.4(7) . .
C12 C17 C18 111.1(7) . .
O2 C18 C17 109.2(6) . .
O2 C18 C21 108.5(6) . .
C17 C18 C21 106.8(6) . .
O2 C18 C19 108.7(6) . .
C17 C18 C19 109.9(6) . .
C21 C18 C19 113.6(6) . .
F12 C19 F11 106.1(6) . .
F12 C19 C20 104.0(7) . .
F11 C19 C20 108.4(7) . .
F12 C19 C18 110.2(6) . .
F11 C19 C18 109.8(7) . .
C20 C19 C18 117.6(7) . .
F14 C20 F15 110.0(8) . .
F14 C20 F13 106.8(7) . .
F15 C20 F13 105.6(7) . .
F14 C20 C19 114.2(7) . .
F15 C20 C19 112.7(8) . .
F13 C20 C19 107.0(7) . .
F17 C21 F16 105.1(6) . .
F17 C21 C22 105.2(7) . .
F16 C21 C22 103.7(7) . .
F17 C21 C18 105.9(6) . .
F16 C21 C18 111.6(7) . .
C22 C21 C18 123.8(7) . .
F19 C22 F20 107.4(8) . .
F19 C22 F18 106.8(7) . .
F20 C22 F18 107.0(7) . .
F19 C22 C21 112.6(7) . .
F20 C22 C21 112.1(7) . .
F18 C22 C21 110.7(8) . .
C24 C23 P1 88.5(4) . .
C24 C23 H23 113.9 . .
P1 C23 H23 113.9 . .
C24 C23 H23A 113.9 . .
P1 C23 H23A 113.9 . .
H23 C23 H23A 111.1 . .
O3 C24 C23 97.5(5) . .
O3 C24 C31 111.3(6) . .
C23 C24 C31 113.4(6) . .
O3 C24 C25 110.2(6) . .
C23 C24 C25 116.1(6) . .
C31 C24 C25 108.0(6) . .
C30 C25 C26 118.7(8) . .
C30 C25 C24 119.9(8) . .
C26 C25 C24 121.4(8) . .
C27 C26 C25 120.8(9) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C28 C27 C26 120.5(10) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 120.6(9) . .
C27 C28 H28 119.7 . .
C29 C28 H28 119.7 . .
C28 C29 C30 119.8(10) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C25 C30 C29 119.6(9) . .
C25 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
C32 C31 C36 118.0(7) . .
C32 C31 C24 121.0(7) . .
C36 C31 C24 121.1(7) . .
C33 C32 C31 119.7(8) . .
C33 C32 H32 120.2 . .
C31 C32 H32 120.2 . .
C34 C33 C32 121.5(8) . .
C34 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C33 C34 C35 119.2(8) . .
C33 C34 H34 120.4 . .
C35 C34 H34 120.4 . .
C34 C35 C36 120.3(8) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C35 C36 C31 121.3(7) . .
C35 C36 H36 119.3 . .
C31 C36 H36 119.3 . .
O5 C37 C42 108.0(8) . 2_645
O5 C37 H37 110.1 . .
C42 C37 H37 110.1 2_645 .
O5 C37 H37A 110.1 . .
C42 C37 H37A 110.1 2_645 .
H37 C37 H37A 108.4 . .
O5 C38 C39 109.3(7) . .
O5 C38 H38 109.8 . .
C39 C38 H38 109.8 . .
O5 C38 H38A 109.8 . .
C39 C38 H38A 109.8 . .
H38 C38 H38A 108.3 . .
O4 C39 C38 108.8(7) . .
O4 C39 H39 109.9 . .
C38 C39 H39 109.9 . .
O4 C39 H39A 109.9 . .
C38 C39 H39A 109.9 . .
H39 C39 H39A 108.3 . .
O4 C40 C41 108.0(7) . .
O4 C40 H40 110.1 . .
C41 C40 H40 110.1 . .
O4 C40 H40A 110.1 . .
C41 C40 H40A 110.1 . .
H40 C40 H40A 108.4 . .
O6 C41 C40 107.9(7) . .
O6 C41 H41 110.1 . .
C40 C41 H41 110.1 . .
O6 C41 H41A 110.1 . .
C40 C41 H41A 110.1 . .
H41 C41 H41A 108.4 . .
O6 C42 C37 108.3(8) . 2_645
O6 C42 H42 110.0 . .
C37 C42 H42 110.0 2_645 .
O6 C42 H42A 110.0 . .
C37 C42 H42A 110.0 2_645 .
H42 C42 H42A 108.4 . .
C44 C43 O11 106.5(16) . .
C44 C43 H43 110.4 . .
O11 C43 H43 110.4 . .
C44 C43 H43A 110.4 . .
O11 C43 H43A 110.4 . .
H43 C43 H43A 108.6 . .
C43 C44 C45 107.3(18) . .
C43 C44 H44 110.3 . .
C45 C44 H44 110.3 . .
C43 C44 H44A 110.3 . .
C45 C44 H44A 110.3 . .
H44 C44 H44A 108.5 . .
C46 C45 C44 105.9(15) . .
C46 C45 H45 110.6 . .
C44 C45 H45 110.6 . .
C46 C45 H45A 110.6 . .
C44 C45 H45A 110.6 . .
H45 C45 H45A 108.7 . .
O11 C46 C45 108.2(15) . .
O11 C46 H46 110.1 . .
C45 C46 H46 110.1 . .
O11 C46 H46A 110.1 . .
C45 C46 H46A 110.1 . .
H46 C46 H46A 108.4 . .
O8 C47 C52 109.1(8) . 2_666
O8 C47 H47 109.9 . .
C52 C47 H47 109.9 2_666 .
O8 C47 H47A 109.9 . .
C52 C47 H47A 109.9 2_666 .
H47 C47 H47A 108.3 . .
O8 C48 C49 110.1(8) . .
O8 C48 H48 109.6 . .
C49 C48 H48 109.6 . .
O8 C48 H48A 109.6 . .
C49 C48 H48A 109.6 . .
H48 C48 H48A 108.1 . .
O9 C49 C48 109.9(8) . .
O9 C49 H49 109.7 . .
C48 C49 H49 109.7 . .
O9 C49 H49A 109.7 . .
C48 C49 H49A 109.7 . .
H49 C49 H49A 108.2 . .
O9 C50 C51 108.4(7) . .
O9 C50 H50 110.0 . .
C51 C50 H50 110.0 . .
O9 C50 H50A 110.0 . .
C51 C50 H50A 110.0 . .
H50 C50 H50A 108.4 . .
O10 C51 C50 108.1(8) . .
O10 C51 H51 110.1 . .
C50 C51 H51 110.1 . .
O10 C51 H51A 110.1 . .
C50 C51 H51A 110.1 . .
H51 C51 H51A 108.4 . .
O10 C52 C47 108.8(8) . 2_666
O10 C52 H52 109.9 . .
C47 C52 H52 109.9 2_666 .
O10 C52 H52A 109.9 . .
C47 C52 H52A 109.9 2_666 .
H52 C52 H52A 108.3 . .
O7 C53 C54 101.9(13) . .
O7 C53 H53 111.4 . .
C54 C53 H53 111.4 . .
O7 C53 H53A 111.4 . .
C54 C53 H53A 111.4 . .
H53 C53 H53A 109.3 . .
C55 C54 C53 111.9(18) . .
C55 C54 H54 109.2 . .
C53 C54 H54 109.2 . .
C55 C54 H54A 109.2 . .
C53 C54 H54A 109.2 . .
H54 C54 H54A 107.9 . .
C54 C55 C56 102.3(16) . .
C54 C55 H55 111.3 . .
C56 C55 H55 111.3 . .
C54 C55 H55A 111.3 . .
C56 C55 H55A 111.3 . .
H55 C55 H55A 109.2 . .
O7 C56 C55 112.7(19) . .
O7 C56 H56 109.1 . .
C55 C56 H56 109.1 . .
O7 C56 H56A 109.1 . .
C55 C56 H56A 109.1 . .
H56 C56 H56A 107.8 . .
C7 O1 P1 118.8(5) . .
C18 O2 P1 118.2(4) . .
C24 O3 P1 97.3(4) . .
O11 K1 O11 179.999(1) 2_645 .
O11 K1 O6 87.1(3) 2_645 .
O11 K1 O6 92.9(3) . .
O11 K1 O6 92.9(3) 2_645 2_645
O11 K1 O6 87.1(3) . 2_645
O6 K1 O6 179.999(1) . 2_645
O11 K1 O4 97.1(3) 2_645 .
O11 K1 O4 82.9(3) . .
O6 K1 O4 61.52(16) . .
O6 K1 O4 118.48(16) 2_645 .
O11 K1 O4 82.9(3) 2_645 2_645
O11 K1 O4 97.1(3) . 2_645
O6 K1 O4 118.48(16) . 2_645
O6 K1 O4 61.52(16) 2_645 2_645
O4 K1 O4 180.000(1) . 2_645
O11 K1 O5 88.8(3) 2_645 .
O11 K1 O5 91.2(3) . .
O6 K1 O5 120.11(17) . .
O6 K1 O5 59.89(17) 2_645 .
O4 K1 O5 59.84(17) . .
O4 K1 O5 120.16(17) 2_645 .
O11 K1 O5 91.2(3) 2_645 2_645
O11 K1 O5 88.8(3) . 2_645
O6 K1 O5 59.89(17) . 2_645
O6 K1 O5 120.11(17) 2_645 2_645
O4 K1 O5 120.16(17) . 2_645
O4 K1 O5 59.84(17) 2_645 2_645
O5 K1 O5 180.0 . 2_645
C40 O4 C39 112.4(6) . .
C40 O4 K1 113.0(4) . .
C39 O4 K1 115.0(5) . .
C38 O5 C37 112.9(7) . .
C38 O5 K1 115.2(5) . .
C37 O5 K1 115.0(5) . .
C42 O6 C41 111.9(7) . .
C42 O6 K1 115.8(5) . .
C41 O6 K1 112.4(4) . .
C56 O7 C53 107.6(13) . .
C56 O7 K2 129.5(11) . .
C53 O7 K2 122.4(9) . .
O7 K2 O7 180.0(6) . 2_666
O7 K2 O8 89.3(3) . .
O7 K2 O8 90.7(3) 2_666 .
O7 K2 O8 90.7(3) . 2_666
O7 K2 O8 89.3(3) 2_666 2_666
O8 K2 O8 179.998(2) . 2_666
O7 K2 O10 82.2(2) . 2_666
O7 K2 O10 97.8(2) 2_666 2_666
O8 K2 O10 61.04(18) . 2_666
O8 K2 O10 118.96(18) 2_666 2_666
O7 K2 O10 97.8(2) . .
O7 K2 O10 82.2(2) 2_666 .
O8 K2 O10 118.96(18) . .
O8 K2 O10 61.04(18) 2_666 .
O10 K2 O10 179.999(1) 2_666 .
O7 K2 O9 93.8(2) . 2_666
O7 K2 O9 86.2(2) 2_666 2_666
O8 K2 O9 119.28(18) . 2_666
O8 K2 O9 60.72(18) 2_666 2_666
O10 K2 O9 59.46(18) 2_666 2_666
O10 K2 O9 120.54(18) . 2_666
O7 K2 O9 86.2(2) . .
O7 K2 O9 93.8(2) 2_666 .
O8 K2 O9 60.72(18) . .
O8 K2 O9 119.28(18) 2_666 .
O10 K2 O9 120.54(18) 2_666 .
O10 K2 O9 59.46(18) . .
O9 K2 O9 180.0(2) 2_666 .
C47 O8 C48 113.7(7) . .
C47 O8 K2 113.3(5) . .
C48 O8 K2 114.9(5) . .
C49 O9 C50 113.8(7) . .
C49 O9 K2 113.5(5) . .
C50 O9 K2 116.0(5) . .
C52 O10 C51 112.6(7) . .
C52 O10 K2 113.4(5) . .
C51 O10 K2 114.8(5) . .
C46 O11 C43 111.8(11) . .
C46 O11 K1 126.0(10) . .
C43 O11 K1 121.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C8 1.358(10) .
F2 C8 1.349(9) .
F3 C9 1.339(10) .
F4 C9 1.309(10) .
F5 C9 1.349(11) .
F6 C10 1.353(9) .
F7 C10 1.345(9) .
F8 C11 1.344(11) .
F9 C11 1.324(11) .
F10 C11 1.317(11) .
F11 C19 1.357(9) .
F12 C19 1.354(9) .
F13 C20 1.365(9) .
F14 C20 1.289(10) .
F15 C20 1.318(10) .
F16 C21 1.370(9) .
F17 C21 1.357(9) .
F18 C22 1.336(10) .
F19 C22 1.335(10) .
F20 C22 1.337(10) .
P1 O3 1.722(5) .
P1 O1 1.804(5) .
P1 O2 1.809(5) .
P1 C1 1.843(8) .
P1 C12 1.858(8) .
P1 C23 1.878(8) .
C1 C6 1.388(11) .
C1 C2 1.397(11) .
C2 C3 1.385(12) .
C2 H2 0.9500 .
C3 C4 1.369(13) .
C3 H3 0.9500 .
C4 C5 1.389(13) .
C4 H4 0.9500 .
C5 C6 1.386(11) .
C5 H5 0.9500 .
C6 C7 1.527(11) .
C7 O1 1.371(9) .
C7 C8 1.577(11) .
C7 C10 1.576(12) .
C8 C9 1.513(13) .
C10 C11 1.535(13) .
C12 C17 1.390(11) .
C12 C13 1.400(11) .
C13 C14 1.391(12) .
C13 H13 0.9500 .
C14 C15 1.359(13) .
C14 H14 0.9500 .
C15 C16 1.374(13) .
C15 H15 0.9500 .
C16 C17 1.386(12) .
C16 H16 0.9500 .
C17 C18 1.532(11) .
C18 O2 1.368(9) .
C18 C21 1.552(12) .
C18 C19 1.580(11) .
C19 C20 1.530(13) .
C21 C22 1.514(12) .
C23 C24 1.522(10) .
C23 H23 0.9900 .
C23 H23A 0.9900 .
C24 O3 1.447(9) .
C24 C31 1.528(11) .
C24 C25 1.525(11) .
C25 C30 1.384(12) .
C25 C26 1.390(12) .
C26 C27 1.371(13) .
C26 H26 0.9500 .
C27 C28 1.351(14) .
C27 H27 0.9500 .
C28 C29 1.369(14) .
C28 H28 0.9500 .
C29 C30 1.402(13) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.392(11) .
C31 C36 1.392(11) .
C32 C33 1.385(12) .
C32 H32 0.9500 .
C33 C34 1.370(12) .
C33 H33 0.9500 .
C34 C35 1.368(11) .
C34 H34 0.9500 .
C35 C36 1.376(11) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 O5 1.412(11) .
C37 C42 1.508(14) 2_645
C37 H37 0.9900 .
C37 H37A 0.9900 .
C38 O5 1.397(10) .
C38 C39 1.477(12) .
C38 H38 0.9900 .
C38 H38A 0.9900 .
C39 O4 1.424(10) .
C39 H39 0.9900 .
C39 H39A 0.9900 .
C40 O4 1.419(10) .
C40 C41 1.499(12) .
C40 H40 0.9900 .
C40 H40A 0.9900 .
C41 O6 1.433(10) .
C41 H41 0.9900 .
C41 H41A 0.9900 .
C42 O6 1.406(11) .
C42 C37 1.508(14) 2_645
C42 H42 0.9900 .
C42 H42A 0.9900 .
C43 C44 1.39(2) .
C43 O11 1.439(17) .
C43 H43 0.9900 .
C43 H43A 0.9900 .
C44 C45 1.51(3) .
C44 H44 0.9900 .
C44 H44A 0.9900 .
C45 C46 1.42(2) .
C45 H45 0.9900 .
C45 H45A 0.9900 .
C46 O11 1.361(18) .
C46 H46 0.9900 .
C46 H46A 0.9900 .
C47 O8 1.409(10) .
C47 C52 1.489(13) 2_666
C47 H47 0.9900 .
C47 H47A 0.9900 .
C48 O8 1.435(11) .
C48 C49 1.454(13) .
C48 H48 0.9900 .
C48 H48A 0.9900 .
C49 O9 1.415(11) .
C49 H49 0.9900 .
C49 H49A 0.9900 .
C50 O9 1.424(10) .
C50 C51 1.477(13) .
C50 H50 0.9900 .
C50 H50A 0.9900 .
C51 O10 1.418(10) .
C51 H51 0.9900 .
C51 H51A 0.9900 .
C52 O10 1.413(10) .
C52 C47 1.489(13) 2_666
C52 H52 0.9900 .
C52 H52A 0.9900 .
C53 O7 1.400(16) .
C53 C54 1.51(2) .
C53 H53 0.9900 .
C53 H53A 0.9900 .
C54 C55 1.26(2) .
C54 H54 0.9900 .
C54 H54A 0.9900 .
C55 C56 1.45(3) .
C55 H55 0.9900 .
C55 H55A 0.9900 .
C56 O7 1.286(19) .
C56 H56 0.9900 .
C56 H56A 0.9900 .
K1 O11 2.731(9) 2_645
K1 O11 2.731(9) .
K1 O6 2.777(5) .
K1 O6 2.777(5) 2_645
K1 O4 2.778(5) .
K1 O4 2.778(5) 2_645
K1 O5 2.809(5) .
K1 O5 2.809(5) 2_645
O7 K2 2.752(9) .
K2 O7 2.753(9) 2_666
K2 O8 2.765(6) .
K2 O8 2.765(6) 2_666
K2 O10 2.798(6) 2_666
K2 O10 2.798(6) .
K2 O9 2.802(6) 2_666
K2 O9 2.802(6) .
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
O3 P1 C1 C6 164.0(6) . .
O1 P1 C1 C6 -10.5(6) . .
O2 P1 C1 C6 -107.7(6) . .
C12 P1 C1 C6 -58.2(17) . .
C23 P1 C1 C6 87.2(6) . .
O3 P1 C1 C2 -8.0(7) . .
O1 P1 C1 C2 177.5(7) . .
O2 P1 C1 C2 80.2(7) . .
C12 P1 C1 C2 129.7(14) . .
C23 P1 C1 C2 -84.9(7) . .
C6 C1 C2 C3 -1.5(11) . .
P1 C1 C2 C3 170.5(6) . .
C1 C2 C3 C4 -2.1(13) . .
C2 C3 C4 C5 2.8(14) . .
C3 C4 C5 C6 0.2(13) . .
C2 C1 C6 C5 4.7(11) . .
P1 C1 C6 C5 -168.3(6) . .
C2 C1 C6 C7 -177.9(6) . .
P1 C1 C6 C7 9.2(8) . .
C4 C5 C6 C1 -4.0(12) . .
C4 C5 C6 C7 178.9(8) . .
C1 C6 C7 O1 -1.8(9) . .
C5 C6 C7 O1 175.6(7) . .
C1 C6 C7 C8 -121.9(7) . .
C5 C6 C7 C8 55.5(10) . .
C1 C6 C7 C10 115.4(7) . .
C5 C6 C7 C10 -67.2(10) . .
O1 C7 C8 F2 151.2(7) . .
C6 C7 C8 F2 -89.0(8) . .
C10 C7 C8 F2 28.8(10) . .
O1 C7 C8 F1 -91.0(7) . .
C6 C7 C8 F1 28.8(9) . .
C10 C7 C8 F1 146.6(7) . .
O1 C7 C8 C9 26.2(10) . .
C6 C7 C8 C9 146.0(8) . .
C10 C7 C8 C9 -96.2(9) . .
F2 C8 C9 F4 160.2(7) . .
F1 C8 C9 F4 46.6(9) . .
C7 C8 C9 F4 -73.8(11) . .
F2 C8 C9 F3 40.1(11) . .
F1 C8 C9 F3 -73.4(9) . .
C7 C8 C9 F3 166.2(7) . .
F2 C8 C9 F5 -77.3(9) . .
F1 C8 C9 F5 169.2(7) . .
C7 C8 C9 F5 48.8(11) . .
O1 C7 C10 F7 58.9(8) . .
C6 C7 C10 F7 -57.9(8) . .
C8 C7 C10 F7 -178.8(7) . .
O1 C7 C10 F6 174.7(6) . .
C6 C7 C10 F6 57.9(8) . .
C8 C7 C10 F6 -63.0(9) . .
O1 C7 C10 C11 -61.1(10) . .
C6 C7 C10 C11 -177.8(8) . .
C8 C7 C10 C11 61.3(10) . .
F7 C10 C11 F10 -68.9(9) . .
F6 C10 C11 F10 178.7(7) . .
C7 C10 C11 F10 51.3(11) . .
F7 C10 C11 F9 167.1(7) . .
F6 C10 C11 F9 54.6(10) . .
C7 C10 C11 F9 -72.8(11) . .
F7 C10 C11 F8 50.4(10) . .
F6 C10 C11 F8 -62.1(9) . .
C7 C10 C11 F8 170.5(7) . .
O3 P1 C12 C17 75.4(6) . .
O1 P1 C12 C17 -110.4(6) . .
O2 P1 C12 C17 -13.1(6) . .
C1 P1 C12 C17 -62.7(17) . .
C23 P1 C12 C17 152.3(6) . .
O3 P1 C12 C13 -98.0(8) . .
O1 P1 C12 C13 76.2(8) . .
O2 P1 C12 C13 173.4(8) . .
C1 P1 C12 C13 123.9(14) . .
C23 P1 C12 C13 -21.1(8) . .
C17 C12 C13 C14 -0.5(12) . .
P1 C12 C13 C14 172.8(7) . .
C12 C13 C14 C15 -2.9(14) . .
C13 C14 C15 C16 3.7(16) . .
C14 C15 C16 C17 -1.0(16) . .
C15 C16 C17 C12 -2.5(14) . .
C15 C16 C17 C18 173.6(9) . .
C13 C12 C17 C16 3.2(12) . .
P1 C12 C17 C16 -171.1(7) . .
C13 C12 C17 C18 -173.5(7) . .
P1 C12 C17 C18 12.2(9) . .
C16 C17 C18 O2 179.8(8) . .
C12 C17 C18 O2 -3.7(9) . .
C16 C17 C18 C21 -63.1(10) . .
C12 C17 C18 C21 113.5(7) . .
C16 C17 C18 C19 60.6(11) . .
C12 C17 C18 C19 -122.9(7) . .
O2 C18 C19 F12 -92.6(7) . .
C17 C18 C19 F12 26.9(9) . .
C21 C18 C19 F12 146.5(7) . .
O2 C18 C19 F11 150.8(6) . .
C17 C18 C19 F11 -89.7(8) . .
C21 C18 C19 F11 29.9(9) . .
O2 C18 C19 C20 26.2(10) . .
C17 C18 C19 C20 145.8(8) . .
C21 C18 C19 C20 -94.6(9) . .
F12 C19 C20 F14 47.9(9) . .
F11 C19 C20 F14 160.5(7) . .
C18 C19 C20 F14 -74.2(10) . .
F12 C19 C20 F15 174.4(7) . .
F11 C19 C20 F15 -73.0(9) . .
C18 C19 C20 F15 52.2(10) . .
F12 C19 C20 F13 -70.0(8) . .
F11 C19 C20 F13 42.6(9) . .
C18 C19 C20 F13 167.8(7) . .
O2 C18 C21 F17 59.6(8) . .
C17 C18 C21 F17 -58.1(7) . .
C19 C18 C21 F17 -179.4(6) . .
O2 C18 C21 F16 173.4(6) . .
C17 C18 C21 F16 55.7(8) . .
C19 C18 C21 F16 -65.6(9) . .
O2 C18 C21 C22 -61.7(9) . .
C17 C18 C21 C22 -179.4(7) . .
C19 C18 C21 C22 59.3(10) . .
F17 C21 C22 F19 167.3(7) . .
F16 C21 C22 F19 57.2(9) . .
C18 C21 C22 F19 -71.1(10) . .
F17 C21 C22 F20 -71.4(9) . .
F16 C21 C22 F20 178.5(7) . .
C18 C21 C22 F20 50.2(11) . .
F17 C21 C22 F18 47.9(9) . .
F16 C21 C22 F18 -62.2(9) . .
C18 C21 C22 F18 169.5(7) . .
O3 P1 C23 C24 2.6(4) . .
O1 P1 C23 C24 -175.5(4) . .
O2 P1 C23 C24 13.8(14) . .
C1 P1 C23 C24 99.1(5) . .
C12 P1 C23 C24 -89.2(5) . .
P1 C23 C24 O3 -3.0(5) . .
P1 C23 C24 C31 114.1(6) . .
P1 C23 C24 C25 -119.9(6) . .
O3 C24 C25 C30 27.6(9) . .
C23 C24 C25 C30 137.1(7) . .
C31 C24 C25 C30 -94.2(8) . .
O3 C24 C25 C26 -152.2(7) . .
C23 C24 C25 C26 -42.7(10) . .
C31 C24 C25 C26 86.0(8) . .
C30 C25 C26 C27 -1.4(12) . .
C24 C25 C26 C27 178.4(8) . .
C25 C26 C27 C28 -0.7(14) . .
C26 C27 C28 C29 2.4(15) . .
C27 C28 C29 C30 -2.0(14) . .
C26 C25 C30 C29 1.8(12) . .
C24 C25 C30 C29 -178.0(7) . .
C28 C29 C30 C25 -0.1(13) . .
O3 C24 C31 C32 -15.2(9) . .
C23 C24 C31 C32 -124.0(8) . .
C25 C24 C31 C32 105.8(8) . .
O3 C24 C31 C36 162.8(6) . .
C23 C24 C31 C36 54.1(9) . .
C25 C24 C31 C36 -76.1(8) . .
C36 C31 C32 C33 0.4(12) . .
C24 C31 C32 C33 178.5(8) . .
C31 C32 C33 C34 -2.3(13) . .
C32 C33 C34 C35 3.2(13) . .
C33 C34 C35 C36 -2.3(12) . .
C34 C35 C36 C31 0.5(11) . .
C32 C31 C36 C35 0.4(11) . .
C24 C31 C36 C35 -177.6(7) . .
O5 C38 C39 O4 -64.5(10) . .
O4 C40 C41 O6 69.9(8) . .
O11 C43 C44 C45 -5(3) . .
C43 C44 C45 C46 5(4) . .
C44 C45 C46 O11 -3(3) . .
O8 C48 C49 O9 -64.1(10) . .
O9 C50 C51 O10 65.1(10) . .
O7 C53 C54 C55 8(3) . .
C53 C54 C55 C56 -16(4) . .
C54 C55 C56 O7 20(4) . .
C6 C7 O1 P1 -6.6(8) . .
C8 C7 O1 P1 114.2(6) . .
C10 C7 O1 P1 -121.1(6) . .
O3 P1 O1 C7 -102(3) . .
O2 P1 O1 C7 94.2(5) . .
C1 P1 O1 C7 9.7(5) . .
C12 P1 O1 C7 179.0(5) . .
C23 P1 O1 C7 -83.4(5) . .
C17 C18 O2 P1 -6.9(8) . .
C21 C18 O2 P1 -123.0(5) . .
C19 C18 O2 P1 113.1(6) . .
O3 P1 O2 C18 -82.4(5) . .
O1 P1 O2 C18 96.0(5) . .
C1 P1 O2 C18 -179.7(6) . .
C12 P1 O2 C18 11.3(5) . .
C23 P1 O2 C18 -93.3(12) . .
C23 C24 O3 P1 3.3(5) . .
C31 C24 O3 P1 -115.5(5) . .
C25 C24 O3 P1 124.8(5) . .
O1 P1 O3 C24 16(3) . .
O2 P1 O3 C24 -179.9(4) . .
C1 P1 O3 C24 -94.9(4) . .
C12 P1 O3 C24 94.8(4) . .
C23 P1 O3 C24 -2.8(4) . .
C41 C40 O4 C39 176.6(7) . .
C41 C40 O4 K1 -51.2(7) . .
C38 C39 O4 C40 -179.1(7) . .
C38 C39 O4 K1 49.8(8) . .
O11 K1 O4 C40 -64.9(6) 2_645 .
O11 K1 O4 C40 115.1(6) . .
O6 K1 O4 C40 17.8(5) . .
O6 K1 O4 C40 -162.2(5) 2_645 .
O4 K1 O4 C40 171(48) 2_645 .
O5 K1 O4 C40 -149.4(5) . .
O5 K1 O4 C40 30.6(5) 2_645 .
O11 K1 O4 C39 65.9(6) 2_645 .
O11 K1 O4 C39 -114.1(6) . .
O6 K1 O4 C39 148.7(6) . .
O6 K1 O4 C39 -31.3(6) 2_645 .
O4 K1 O4 C39 -58(48) 2_645 .
O5 K1 O4 C39 -18.5(5) . .
O5 K1 O4 C39 161.5(5) 2_645 .
C39 C38 O5 C37 -177.9(8) . .
C39 C38 O5 K1 47.2(8) . .
C42 C37 O5 C38 176.6(8) 2_645 .
C42 C37 O5 K1 -48.4(10) 2_645 .
O11 K1 O5 C38 -114.7(6) 2_645 .
O11 K1 O5 C38 65.3(6) . .
O6 K1 O5 C38 -28.8(6) . .
O6 K1 O5 C38 151.2(6) 2_645 .
O4 K1 O5 C38 -15.8(5) . .
O4 K1 O5 C38 164.2(5) 2_645 .
O5 K1 O5 C38 53(12) 2_645 .
O11 K1 O5 C37 111.4(7) 2_645 .
O11 K1 O5 C37 -68.6(7) . .
O6 K1 O5 C37 -162.7(6) . .
O6 K1 O5 C37 17.3(6) 2_645 .
O4 K1 O5 C37 -149.7(7) . .
O4 K1 O5 C37 30.3(7) 2_645 .
O5 K1 O5 C37 -81(12) 2_645 .
C37 C42 O6 C41 -179.4(8) 2_645 .
C37 C42 O6 K1 50.0(10) 2_645 .
C40 C41 O6 C42 176.0(8) . .
C40 C41 O6 K1 -51.7(8) . .
O11 K1 O6 C42 -111.5(7) 2_645 .
O11 K1 O6 C42 68.5(7) . .
O6 K1 O6 C42 39(26) 2_645 .
O4 K1 O6 C42 148.9(7) . .
O4 K1 O6 C42 -31.1(7) 2_645 .
O5 K1 O6 C42 161.6(6) . .
O5 K1 O6 C42 -18.4(6) 2_645 .
O11 K1 O6 C41 118.2(6) 2_645 .
O11 K1 O6 C41 -61.8(6) . .
O6 K1 O6 C41 -91(26) 2_645 .
O4 K1 O6 C41 18.5(5) . .
O4 K1 O6 C41 -161.5(5) 2_645 .
O5 K1 O6 C41 31.3(6) . .
O5 K1 O6 C41 -148.7(6) 2_645 .
C55 C56 O7 C53 -16(3) . .
C55 C56 O7 K2 155.8(16) . .
C54 C53 O7 C56 6(3) . .
C54 C53 O7 K2 -166.8(15) . .
C56 O7 K2 O7 127(36) . 2_666
C53 O7 K2 O7 -62(36) . 2_666
C56 O7 K2 O8 -61(2) . .
C53 O7 K2 O8 109.6(11) . .
C56 O7 K2 O8 119(2) . 2_666
C53 O7 K2 O8 -70.4(11) . 2_666
C56 O7 K2 O10 -122(2) . 2_666
C53 O7 K2 O10 48.8(11) . 2_666
C56 O7 K2 O10 58(2) . .
C53 O7 K2 O10 -131.2(11) . .
C56 O7 K2 O9 180(2) . 2_666
C53 O7 K2 O9 -9.7(11) . 2_666
C56 O7 K2 O9 0(2) . .
C53 O7 K2 O9 170.3(11) . .
C52 C47 O8 C48 174.2(8) 2_666 .
C52 C47 O8 K2 -52.1(8) 2_666 .
C49 C48 O8 C47 178.9(8) . .
C49 C48 O8 K2 46.0(9) . .
O7 K2 O8 C47 -61.8(6) . .
O7 K2 O8 C47 118.2(6) 2_666 .
O8 K2 O8 C47 109(5) 2_666 .
O10 K2 O8 C47 19.7(5) 2_666 .
O10 K2 O8 C47 -160.3(5) . .
O9 K2 O8 C47 32.2(6) 2_666 .
O9 K2 O8 C47 -147.8(6) . .
O7 K2 O8 C48 71.3(6) . .
O7 K2 O8 C48 -108.7(6) 2_666 .
O8 K2 O8 C48 -118(5) 2_666 .
O10 K2 O8 C48 152.7(6) 2_666 .
O10 K2 O8 C48 -27.3(6) . .
O9 K2 O8 C48 165.3(5) 2_666 .
O9 K2 O8 C48 -14.7(5) . .
C48 C49 O9 C50 -175.1(8) . .
C48 C49 O9 K2 49.3(9) . .
C51 C50 O9 C49 179.1(8) . .
C51 C50 O9 K2 -46.4(9) . .
O7 K2 O9 C49 -109.5(6) . .
O7 K2 O9 C49 70.5(6) 2_666 .
O8 K2 O9 C49 -18.1(6) . .
O8 K2 O9 C49 161.9(6) 2_666 .
O10 K2 O9 C49 -30.9(6) 2_666 .
O10 K2 O9 C49 149.1(6) . .
O9 K2 O9 C49 107(8) 2_666 .
O7 K2 O9 C50 116.0(6) . .
O7 K2 O9 C50 -64.0(6) 2_666 .
O8 K2 O9 C50 -152.7(6) . .
O8 K2 O9 C50 27.3(6) 2_666 .
O10 K2 O9 C50 -165.4(5) 2_666 .
O10 K2 O9 C50 14.6(5) . .
O9 K2 O9 C50 -28(8) 2_666 .
C47 C52 O10 C51 179.9(7) 2_666 .
C47 C52 O10 K2 47.3(9) 2_666 .
C50 C51 O10 C52 175.8(7) . .
C50 C51 O10 K2 -52.3(8) . .
O7 K2 O10 C52 71.0(6) . .
O7 K2 O10 C52 -109.0(6) 2_666 .
O8 K2 O10 C52 164.6(6) . .
O8 K2 O10 C52 -15.4(6) 2_666 .
O10 K2 O10 C52 -108(9) 2_666 .
O9 K2 O10 C52 -28.2(6) 2_666 .
O9 K2 O10 C52 151.8(6) . .
O7 K2 O10 C51 -60.5(6) . .
O7 K2 O10 C51 119.5(6) 2_666 .
O8 K2 O10 C51 33.1(6) . .
O8 K2 O10 C51 -146.9(6) 2_666 .
O10 K2 O10 C51 120(9) 2_666 .
O9 K2 O10 C51 -159.6(5) 2_666 .
O9 K2 O10 C51 20.4(5) . .
C45 C46 O11 C43 1(3) . .
C45 C46 O11 K1 -170.0(16) . .
C44 C43 O11 C46 3(3) . .
C44 C43 O11 K1 173.8(17) . .
O11 K1 O11 C46 77(18) 2_645 .
O6 K1 O11 C46 81.7(18) . .
O6 K1 O11 C46 -98.3(18) 2_645 .
O4 K1 O11 C46 20.9(17) . .
O4 K1 O11 C46 -159.1(17) 2_645 .
O5 K1 O11 C46 -38.5(18) . .
O5 K1 O11 C46 141.5(18) 2_645 .
O11 K1 O11 C43 -93(18) 2_645 .
O6 K1 O11 C43 -88.0(13) . .
O6 K1 O11 C43 92.0(13) 2_645 .
O4 K1 O11 C43 -148.8(14) . .
O4 K1 O11 C43 31.2(14) 2_645 .
O5 K1 O11 C43 151.8(13) . .
O5 K1 O11 C43 -28.2(13) 2_645 .
