#------------------------------------------------------------------------------
#$Date: 2019-11-28 20:57:02 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244598 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/92/7239205.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_7239205
loop_
_publ_author_name
'Wong, Wing-Yan'
'Lee, Siu-Fung'
'Chan, Hoi-Shan'
'Mak, Thomas C. W.'
'Wong, Chi-Hin'
'Huang, Lau-Shan'
'Stoddart, J. Fraser'
'Cham-Fai Leung, Ken'
_publ_section_title
;
 Recognition between V- and dumbbell-shaped molecules
;
_journal_issue                   48
_journal_name_full               'RSC Advances'
_journal_page_first              26382
_journal_paper_doi               10.1039/c3ra43470b
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C48 H48 Cl F6 N2 O4 P'
_chemical_formula_weight         897.30
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                95.8310(10)
_cell_angle_beta                 99.9830(10)
_cell_angle_gamma                114.1490(10)
_cell_formula_units_Z            2
_cell_length_a                   12.0530(4)
_cell_length_b                   12.8073(4)
_cell_length_c                   16.0081(9)
_cell_measurement_reflns_used    211
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     2179.41(16)
_computing_cell_refinement       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_collection       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_reduction        'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_molecular_graphics    'SIEMENS SHELXTL'
_computing_publication_material  'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0337
_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       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25221
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.197
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6068
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         7855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0587P)²+0.9095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                6456
_reflns_number_total             7855
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra43470b.txt
_cod_data_source_block           wy207
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7239205
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
N1' N 0.12023(13) 0.20595(12) 0.30184(10) 0.0370(3) Uani 1 1 d .
H1'A H 0.1887 0.2037 0.3330 0.044 Uiso 1 1 calc R
H1'D H 0.1087 0.1729 0.2468 0.044 Uiso 1 1 calc R
N1 N -0.14440(13) 0.08695(13) -0.05084(9) 0.0374(3) Uani 1 1 d .
H1A H -0.1709 0.0093 -0.0645 0.045 Uiso 1 1 calc R
H1D H -0.0813 0.1145 -0.0031 0.045 Uiso 1 1 calc R
O1' O 0.59165(13) 0.53425(14) 0.41756(10) 0.0609(4) Uani 1 1 d .
O2' O 0.43521(15) 0.47905(14) 0.11586(10) 0.0637(4) Uani 1 1 d .
C1 C -0.09705(17) 0.14183(17) -0.12387(12) 0.0432(4) Uani 1 1 d .
H1B H -0.0282 0.1250 -0.1335 0.052 Uiso 1 1 calc R
H1C H -0.0656 0.2258 -0.1083 0.052 Uiso 1 1 calc R
C2 C -0.19858(17) 0.09708(16) -0.20609(11) 0.0391(4) Uani 1 1 d .
C3 C -0.23738(19) 0.17348(17) -0.24441(13) 0.0459(4) Uani 1 1 d .
H3A H -0.2026 0.2519 -0.2189 0.055 Uiso 1 1 calc R
C4 C -0.3283(2) 0.13051(18) -0.32086(14) 0.0495(5) Uani 1 1 d .
C5 C -0.38259(19) 0.01310(17) -0.35979(13) 0.0450(4) Uani 1 1 d .
H5A H -0.4442 -0.0147 -0.4110 0.054 Uiso 1 1 calc R
C6 C -0.34329(18) -0.06089(16) -0.32100(12) 0.0414(4) Uani 1 1 d .
C7 C -0.25192(18) -0.01931(17) -0.24388(12) 0.0425(4) Uani 1 1 d .
H7A H -0.2268 -0.0702 -0.2178 0.051 Uiso 1 1 calc R
C8 C -0.3163(4) 0.3183(3) -0.3341(2) 0.1159(14) Uani 1 1 d .
H8A H -0.3564 0.3541 -0.3707 0.174 Uiso 1 1 calc R
H8B H -0.2291 0.3500 -0.3342 0.174 Uiso 1 1 calc R
H8C H -0.3251 0.3336 -0.2763 0.174 Uiso 1 1 calc R
C9 C -0.4867(2) -0.2273(2) -0.42926(16) 0.0653(6) Uani 1 1 d .
H9A H -0.5074 -0.3085 -0.4458 0.098 Uiso 1 1 calc R
H9B H -0.4627 -0.1881 -0.4757 0.098 Uiso 1 1 calc R
H9C H -0.5582 -0.2193 -0.4167 0.098 Uiso 1 1 calc R
C10 C -0.24984(16) 0.11175(16) -0.03189(12) 0.0394(4) Uani 1 1 d .
H10A H -0.3144 0.0878 -0.0848 0.047 Uiso 1 1 calc R
H10B H -0.2190 0.1952 -0.0134 0.047 Uiso 1 1 calc R
C11 C -0.30741(16) 0.05158(16) 0.03627(12) 0.0379(4) Uani 1 1 d .
C12 C -0.39419(16) -0.06695(16) 0.01304(13) 0.0417(4) Uani 1 1 d .
C13 C -0.42295(19) -0.13541(18) -0.07088(15) 0.0525(5) Uani 1 1 d .
H13A H -0.3820 -0.1016 -0.1122 0.063 Uiso 1 1 calc R
C14 C -0.5087(2) -0.2485(2) -0.09136(19) 0.0686(7) Uani 1 1 d .
H14A H -0.5259 -0.2912 -0.1464 0.082 Uiso 1 1 calc R
C15 C -0.5719(2) -0.3020(2) -0.0301(2) 0.0778(8) Uani 1 1 d .
H15A H -0.6311 -0.3795 -0.0453 0.093 Uiso 1 1 calc R
C16 C -0.5475(2) -0.2423(2) 0.0503(2) 0.0667(7) Uani 1 1 d .
H16A H -0.5891 -0.2795 0.0903 0.080 Uiso 1 1 calc R
C17 C -0.45864(18) -0.12234(17) 0.07519(15) 0.0486(5) Uani 1 1 d .
C18 C -0.43710(19) -0.0573(2) 0.15590(14) 0.0530(5) Uani 1 1 d .
H18A H -0.4804 -0.0933 0.1956 0.064 Uiso 1 1 calc R
C19 C -0.35298(18) 0.05989(19) 0.17957(13) 0.0468(5) Uani 1 1 d .
C20 C -0.3346(2) 0.1281(2) 0.26171(14) 0.0615(6) Uani 1 1 d .
H20A H -0.3807 0.0930 0.3003 0.074 Uiso 1 1 calc R
C21 C -0.2531(2) 0.2408(3) 0.28477(15) 0.0694(7) Uani 1 1 d .
H21A H -0.2430 0.2829 0.3387 0.083 Uiso 1 1 calc R
C22 C -0.1830(2) 0.2953(2) 0.22705(15) 0.0633(6) Uani 1 1 d .
H22A H -0.1258 0.3734 0.2435 0.076 Uiso 1 1 calc R
C23 C -0.19720(19) 0.23576(19) 0.14742(14) 0.0515(5) Uani 1 1 d .
H23A H -0.1494 0.2740 0.1106 0.062 Uiso 1 1 calc R
C24 C -0.28399(16) 0.11583(17) 0.11937(12) 0.0408(4) Uani 1 1 d .
C1' C 0.14516(18) 0.33136(16) 0.30483(14) 0.0452(4) Uani 1 1 d .
H1'B H 0.1402 0.3642 0.3606 0.054 Uiso 1 1 calc R
H1'C H 0.0827 0.3367 0.2606 0.054 Uiso 1 1 calc R
C2' C 0.27329(17) 0.39849(15) 0.29020(12) 0.0396(4) Uani 1 1 d .
C3' C 0.37584(18) 0.44150(16) 0.35963(13) 0.0422(4) Uani 1 1 d .
H3'A H 0.3649 0.4343 0.4152 0.051 Uiso 1 1 calc R
C4' C 0.49550(17) 0.49568(16) 0.34580(13) 0.0440(4) Uani 1 1 d .
C5' C 0.51174(18) 0.50785(17) 0.26363(13) 0.0482(5) Uani 1 1 d .
H5'A H 0.5919 0.5450 0.2547 0.058 Uiso 1 1 calc R
C6' C 0.40847(19) 0.46458(16) 0.19427(13) 0.0457(4) Uani 1 1 d .
C7' C 0.28844(18) 0.41030(16) 0.20699(13) 0.0442(4) Uani 1 1 d .
H7'A H 0.2191 0.3822 0.1605 0.053 Uiso 1 1 calc R
C8' C 0.7114(2) 0.5535(3) 0.40424(18) 0.0738(7) Uani 1 1 d .
H8'A H 0.7712 0.5806 0.4590 0.111 Uiso 1 1 calc R
H8'B H 0.7363 0.6112 0.3687 0.111 Uiso 1 1 calc R
H8'C H 0.7078 0.4820 0.3761 0.111 Uiso 1 1 calc R
C9' C 0.3360(2) 0.4169(2) 0.04153(15) 0.0699(7) Uani 1 1 d .
H9'A H 0.3659 0.4348 -0.0095 0.105 Uiso 1 1 calc R
H9'B H 0.2693 0.4392 0.0434 0.105 Uiso 1 1 calc R
H9'C H 0.3056 0.3347 0.0404 0.105 Uiso 1 1 calc R
C10' C 0.00906(18) 0.13360(16) 0.33511(14) 0.0465(5) Uani 1 1 d .
H10C H -0.0675 0.1135 0.2921 0.056 Uiso 1 1 calc R
H10D H 0.0071 0.1783 0.3870 0.056 Uiso 1 1 calc R
C11' C 0.01690(17) 0.02353(16) 0.35498(13) 0.0428(4) Uani 1 1 d .
C12' C -0.05554(17) -0.08443(16) 0.29793(13) 0.0434(4) Uani 1 1 d .
C13' C -0.14691(19) -0.1019(2) 0.22149(15) 0.0547(5) Uani 1 1 d .
H13B H -0.1611 -0.0390 0.2074 0.066 Uiso 1 1 calc R
C14' C -0.2136(2) -0.2080(2) 0.16894(16) 0.0633(6) Uani 1 1 d .
H14B H -0.2735 -0.2169 0.1201 0.076 Uiso 1 1 calc R
C15' C -0.1931(2) -0.3047(2) 0.18743(17) 0.0671(6) Uani 1 1 d .
H15B H -0.2384 -0.3766 0.1503 0.080 Uiso 1 1 calc R
C16' C -0.1083(2) -0.29352(19) 0.25846(16) 0.0598(6) Uani 1 1 d .
H16B H -0.0952 -0.3580 0.2696 0.072 Uiso 1 1 calc R
C17' C -0.03834(18) -0.18514(17) 0.31704(14) 0.0477(5) Uani 1 1 d .
C18' C 0.0473(2) -0.17431(18) 0.39141(14) 0.0521(5) Uani 1 1 d .
H18B H 0.0579 -0.2397 0.4031 0.063 Uiso 1 1 calc R
C19' C 0.11748(19) -0.06918(18) 0.44879(13) 0.0491(5) Uani 1 1 d .
C20' C 0.2055(2) -0.0593(2) 0.52511(16) 0.0632(6) Uani 1 1 d .
H20B H 0.2150 -0.1251 0.5372 0.076 Uiso 1 1 calc R
C21' C 0.2749(3) 0.0435(3) 0.57962(17) 0.0733(7) Uani 1 1 d .
H21B H 0.3322 0.0485 0.6287 0.088 Uiso 1 1 calc R
C22' C 0.2610(2) 0.1440(2) 0.56252(16) 0.0692(7) Uani 1 1 d .
H22B H 0.3090 0.2147 0.6007 0.083 Uiso 1 1 calc R
C23' C 0.1787(2) 0.13875(19) 0.49136(14) 0.0564(5) Uani 1 1 d .
H23B H 0.1713 0.2062 0.4816 0.068 Uiso 1 1 calc R
C24' C 0.10283(18) 0.03229(17) 0.43053(13) 0.0456(4) Uani 1 1 d .
O1 O -0.3733(2) 0.19582(15) -0.36557(13) 0.0843(6) Uani 1 1 d .
O2 O -0.38542(16) -0.17685(12) -0.35433(9) 0.0592(4) Uani 1 1 d .
P1' P 0.0000 0.5000 0.5000 0.04978(19) Uani 1 2 d S
P1 P 0.0000 0.5000 0.0000 0.0684(3) Uani 1 2 d S
F1' F 0.13996(14) 0.57935(15) 0.49837(11) 0.0864(5) Uani 1 1 d .
F1 F -0.0565(3) 0.5182(2) 0.07660(19) 0.1669(12) Uani 1 1 d .
F2' F 0.01332(15) 0.38637(13) 0.46351(10) 0.0826(5) Uani 1 1 d .
F2 F 0.13382(19) 0.58743(17) 0.0512(2) 0.1520(11) Uani 1 1 d .
F3' F -0.04721(15) 0.51342(14) 0.40447(9) 0.0802(4) Uani 1 1 d .
F3 F 0.01848(18) 0.39343(15) 0.03181(15) 0.1093(6) Uani 1 1 d .
Cl1 Cl 0.06885(5) 0.12389(4) 0.10541(3) 0.05324(15) 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
C1' N1' C10' 115.38(14) . .
C10 N1 C1 111.79(14) . .
C4' O1' C8' 116.97(17) . .
C6' O2' C9' 117.20(17) . .
N1 C1 C2 111.54(14) . .
C7 C2 C3 120.10(18) . .
C7 C2 C1 119.74(17) . .
C3 C2 C1 120.15(17) . .
C4 C3 C2 118.83(18) . .
O1 C4 C3 124.79(19) . .
O1 C4 C5 113.64(19) . .
C3 C4 C5 121.57(18) . .
C6 C5 C4 118.76(18) . .
O2 C6 C5 124.49(18) . .
O2 C6 C7 114.94(16) . .
C5 C6 C7 120.54(17) . .
C2 C7 C6 120.19(17) . .
N1 C10 C11 114.14(14) . .
C24 C11 C12 120.76(17) . .
C24 C11 C10 120.15(16) . .
C12 C11 C10 118.80(16) . .
C11 C12 C13 122.94(18) . .
C11 C12 C17 119.33(18) . .
C13 C12 C17 117.73(18) . .
C14 C13 C12 121.3(2) . .
C13 C14 C15 120.6(2) . .
C16 C15 C14 120.8(2) . .
C15 C16 C17 120.9(2) . .
C18 C17 C16 122.0(2) . .
C18 C17 C12 119.27(18) . .
C16 C17 C12 118.7(2) . .
C17 C18 C19 122.17(18) . .
C18 C19 C20 122.1(2) . .
C18 C19 C24 119.39(18) . .
C20 C19 C24 118.5(2) . .
C21 C20 C19 122.1(2) . .
C20 C21 C22 119.6(2) . .
C23 C22 C21 121.2(2) . .
C22 C23 C24 121.3(2) . .
C11 C24 C23 123.80(17) . .
C11 C24 C19 119.01(18) . .
C23 C24 C19 117.16(18) . .
N1' C1' C2' 109.31(14) . .
C3' C2' C7' 120.73(17) . .
C3' C2' C1' 119.04(17) . .
C7' C2' C1' 120.10(17) . .
C2' C3' C4' 119.51(18) . .
O1' C4' C5' 123.86(18) . .
O1' C4' C3' 115.83(17) . .
C5' C4' C3' 120.31(18) . .
C4' C5' C6' 119.89(18) . .
O2' C6' C5' 115.05(17) . .
O2' C6' C7' 124.44(18) . .
C5' C6' C7' 120.51(18) . .
C6' C7' C2' 119.05(18) . .
N1' C10' C11' 110.11(14) . .
C12' C11' C24' 120.54(18) . .
C12' C11' C10' 121.15(18) . .
C24' C11' C10' 118.25(18) . .
C11' C12' C13' 124.29(18) . .
C11' C12' C17' 118.90(18) . .
C13' C12' C17' 116.81(18) . .
C14' C13' C12' 121.6(2) . .
C13' C14' C15' 120.8(2) . .
C16' C15' C14' 120.3(2) . .
C15' C16' C17' 121.3(2) . .
C18' C17' C16' 121.2(2) . .
C18' C17' C12' 119.55(19) . .
C16' C17' C12' 119.2(2) . .
C19' C18' C17' 122.13(19) . .
C18' C19' C20' 121.5(2) . .
C18' C19' C24' 119.22(19) . .
C20' C19' C24' 119.3(2) . .
C21' C20' C19' 121.1(2) . .
C20' C21' C22' 120.2(2) . .
C23' C22' C21' 120.8(2) . .
C22' C23' C24' 121.8(2) . .
C11' C24' C23' 123.49(19) . .
C11' C24' C19' 119.64(18) . .
C23' C24' C19' 116.9(2) . .
C4 O1 C8 117.5(2) . .
C6 O2 C9 117.73(16) . .
F1' P1' F1' 180.000(1) 2_566 .
F1' P1' F3' 90.56(9) 2_566 2_566
F1' P1' F3' 89.44(9) . 2_566
F1' P1' F3' 89.44(9) 2_566 .
F1' P1' F3' 90.56(9) . .
F3' P1' F3' 180.00(12) 2_566 .
F1' P1' F2' 90.62(9) 2_566 2_566
F1' P1' F2' 89.38(9) . 2_566
F3' P1' F2' 90.66(8) 2_566 2_566
F3' P1' F2' 89.34(8) . 2_566
F1' P1' F2' 89.38(9) 2_566 .
F1' P1' F2' 90.62(9) . .
F3' P1' F2' 89.34(8) 2_566 .
F3' P1' F2' 90.66(8) . .
F2' P1' F2' 180.000(1) 2_566 .
F1 P1 F1 180.0 . 2_565
F1 P1 F2 91.91(18) . .
F1 P1 F2 88.09(18) 2_565 .
F1 P1 F2 88.09(18) . 2_565
F1 P1 F2 91.91(18) 2_565 2_565
F2 P1 F2 179.999(1) . 2_565
F1 P1 F3 88.23(13) . 2_565
F1 P1 F3 91.77(13) 2_565 2_565
F2 P1 F3 88.33(11) . 2_565
F2 P1 F3 91.67(11) 2_565 2_565
F1 P1 F3 91.77(13) . .
F1 P1 F3 88.23(13) 2_565 .
F2 P1 F3 91.67(11) . .
F2 P1 F3 88.33(11) 2_565 .
F3 P1 F3 180.0 2_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1' C1' 1.502(2) .
N1' C10' 1.506(2) .
N1 C10 1.501(2) .
N1 C1 1.502(2) .
O1' C4' 1.364(2) .
O1' C8' 1.420(3) .
O2' C6' 1.361(2) .
O2' C9' 1.420(3) .
C1 C2 1.508(3) .
C2 C7 1.378(3) .
C2 C3 1.396(3) .
C3 C4 1.381(3) .
C4 O1 1.365(2) .
C4 C5 1.393(3) .
C5 C6 1.376(3) .
C6 O2 1.370(2) .
C6 C7 1.391(3) .
C8 O1 1.423(3) .
C9 O2 1.427(3) .
C10 C11 1.504(2) .
C11 C24 1.409(3) .
C11 C12 1.410(3) .
C12 C13 1.430(3) .
C12 C17 1.434(3) .
C13 C14 1.354(3) .
C14 C15 1.407(4) .
C15 C16 1.347(4) .
C16 C17 1.431(3) .
C17 C18 1.385(3) .
C18 C19 1.389(3) .
C19 C20 1.431(3) .
C19 C24 1.437(3) .
C20 C21 1.338(4) .
C21 C22 1.405(4) .
C22 C23 1.362(3) .
C23 C24 1.427(3) .
C1' C2' 1.503(3) .
C2' C3' 1.382(3) .
C2' C7' 1.390(3) .
C3' C4' 1.391(3) .
C4' C5' 1.378(3) .
C5' C6' 1.386(3) .
C6' C7' 1.388(3) .
C10' C11' 1.512(3) .
C11' C12' 1.410(3) .
C11' C24' 1.411(3) .
C12' C13' 1.427(3) .
C12' C17' 1.441(3) .
C13' C14' 1.356(3) .
C14' C15' 1.408(4) .
C15' C16' 1.342(4) .
C16' C17' 1.422(3) .
C17' C18' 1.387(3) .
C18' C19' 1.386(3) .
C19' C20' 1.430(3) .
C19' C24' 1.433(3) .
C20' C21' 1.344(4) .
C21' C22' 1.411(4) .
C22' C23' 1.350(3) .
C23' C24' 1.430(3) .
P1' F1' 1.5801(15) 2_566
P1' F1' 1.5802(15) .
P1' F3' 1.5886(14) 2_566
P1' F3' 1.5886(14) .
P1' F2' 1.5924(13) 2_566
P1' F2' 1.5924(13) .
P1 F1 1.543(2) .
P1 F1 1.543(2) 2_565
P1 F2 1.5505(19) .
P1 F2 1.5505(19) 2_565
P1 F3 1.5882(17) 2_565
P1 F3 1.5882(17) .
