#------------------------------------------------------------------------------
#$Date: 2020-08-12 04:23:42 +0300 (Wed, 12 Aug 2020) $
#$Revision: 255245 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/10/7241036.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_7241036
loop_
_publ_author_name
'Yang, Lu'
'Qin, Lan'
'Dou, Yong'
'Zhang, Daopeng'
'Zhou, Zhen'
'Wang, Suna'
_publ_section_title
;
 High conversion and selectivity of photodimerization under air conditions
 by supramolecular oxidation restraint within a metallocage-like
 nanoreactor
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00678E
_journal_year                    2020
_chemical_formula_sum            'C59 H38 O5'
_chemical_formula_weight         826.89
_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   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2020-02-10 deposited with the CCDC.	2020-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                80.8233(13)
_cell_angle_beta                 87.5873(13)
_cell_angle_gamma                81.6607(13)
_cell_formula_units_Z            2
_cell_length_a                   9.6181(3)
_cell_length_b                   13.5685(4)
_cell_length_c                   15.9089(4)
_cell_measurement_reflns_used    8.302
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4765
_cell_measurement_theta_min      2.453
_cell_volume                     2027.54(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21985
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         2.140
_exptl_absorpt_coefficient_mu    0.085
_exptl_crystal_colour            Transparent
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_description       Block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.512
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7112
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0517
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1545
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5406
_reflns_number_total             7112
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00678e2.cif
_cod_data_source_block           1
_cod_database_code               7241036
_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.
;
_shelxl_version_number           2014-3
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
O1 O 0.31673(16) 0.11779(11) 0.38946(9) 0.0406(4) Uani 1 1 d . . . . .
O2 O 0.54820(19) 0.20861(10) 0.55010(9) 0.0477(4) Uani 1 1 d . . . . .
O3 O 0.86182(19) 0.07782(15) 0.04071(13) 0.0681(6) Uani 1 1 d . . . . .
O4 O 0.0775(3) 0.39944(18) 0.15974(14) 0.0948(8) Uani 1 1 d . . . . .
O5 O -0.2506(2) 0.33988(16) -0.08611(12) 0.0750(6) Uani 1 1 d . . . . .
C1 C 0.08893(19) -0.10837(13) 0.58614(11) 0.0211(4) Uani 1 1 d . . . . .
C2 C 0.1153(2) -0.16281(14) 0.66633(11) 0.0270(5) Uani 1 1 d . . . . .
H2A H 0.0492 -0.2040 0.6933 0.032 Uiso 1 1 calc R U . . .
C3 C 0.2374(2) -0.15777(15) 0.70777(12) 0.0326(5) Uani 1 1 d . . . . .
H3A H 0.2545 -0.1950 0.7631 0.039 Uiso 1 1 calc R U . . .
C4 C 0.3344(2) -0.09853(15) 0.66857(12) 0.0315(5) Uani 1 1 d . . . . .
H4A H 0.4178 -0.0946 0.6971 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3097(2) -0.04502(14) 0.58780(12) 0.0265(5) Uani 1 1 d . . . . .
H5A H 0.3763 -0.0043 0.5611 0.032 Uiso 1 1 calc R U . . .
C6 C 0.18861(19) -0.05033(13) 0.54558(11) 0.0207(4) Uani 1 1 d . . . . .
C7 C 0.15323(19) 0.00740(13) 0.45605(11) 0.0204(4) Uani 1 1 d . . . . .
C8 C 0.04440(19) 0.10777(13) 0.46039(11) 0.0202(4) Uani 1 1 d . . . . .
H8A H 0.0902 0.1668 0.4330 0.024 Uiso 1 1 calc R U . . .
C9 C 0.2896(2) 0.03431(15) 0.41287(11) 0.0258(4) Uani 1 1 d . . . . .
H9A H 0.3597 -0.0201 0.4036 0.031 Uiso 1 1 calc R U . . .
C10 C 0.09342(19) -0.06449(13) 0.40614(11) 0.0205(4) Uani 1 1 d . . . . .
C11 C 0.1294(2) -0.07254(14) 0.32209(12) 0.0278(5) Uani 1 1 d . . . . .
H11A H 0.1962 -0.0337 0.2929 0.033 Uiso 1 1 calc R U . . .
C12 C 0.0681(2) -0.13723(16) 0.28043(13) 0.0353(5) Uani 1 1 d . . . . .
H12A H 0.0929 -0.1424 0.2227 0.042 Uiso 1 1 calc R U . . .
C13 C -0.0283(2) -0.19375(16) 0.32222(13) 0.0346(5) Uani 1 1 d . . . . .
H13A H -0.0694 -0.2383 0.2935 0.041 Uiso 1 1 calc R U . . .
C14 C -0.0660(2) -0.18604(14) 0.40683(12) 0.0276(5) Uani 1 1 d . . . . .
H14A H -0.1329 -0.2251 0.4357 0.033 Uiso 1 1 calc R U . . .
C15 C -0.00571(19) -0.12139(13) 0.44861(11) 0.0210(4) Uani 1 1 d . . . . .
C16 C 0.6572(2) 0.53325(14) 0.42301(10) 0.0224(4) Uani 1 1 d . . . . .
C17 C 0.7723(2) 0.57942(15) 0.39249(12) 0.0299(5) Uani 1 1 d . . . . .
H17A H 0.7596 0.6489 0.3689 0.036 Uiso 1 1 calc R U . . .
C18 C 0.9057(2) 0.52504(18) 0.39605(14) 0.0403(6) Uani 1 1 d . . . . .
H18A H 0.9842 0.5570 0.3742 0.048 Uiso 1 1 calc R U . . .
C19 C 0.9248(2) 0.42553(18) 0.43088(14) 0.0405(6) Uani 1 1 d . . . . .
H19A H 1.0168 0.3887 0.4339 0.049 Uiso 1 1 calc R U . . .
C20 C 0.8106(2) 0.37756(16) 0.46202(12) 0.0321(5) Uani 1 1 d . . . . .
H20A H 0.8250 0.3085 0.4868 0.039 Uiso 1 1 calc R U . . .
C21 C 0.6761(2) 0.43039(13) 0.45694(11) 0.0226(4) Uani 1 1 d . . . . .
C22 C 0.5447(2) 0.38386(13) 0.48760(11) 0.0220(4) Uani 1 1 d . . . . .
C23 C 0.4903(2) 0.41160(13) 0.57910(11) 0.0216(4) Uani 1 1 d . . . . .
H23A H 0.4912 0.3472 0.6197 0.026 Uiso 1 1 calc R U . . .
C24 C 0.5764(2) 0.27017(14) 0.49179(12) 0.0275(5) Uani 1 1 d . . . . .
H24A H 0.6229 0.2458 0.4437 0.033 Uiso 1 1 calc R U . . .
C25 C 0.4329(2) 0.42187(13) 0.41893(11) 0.0221(4) Uani 1 1 d . . . . .
C26 C 0.3526(2) 0.35913(15) 0.38779(12) 0.0278(5) Uani 1 1 d . . . . .
H26A H 0.3615 0.2896 0.4110 0.033 Uiso 1 1 calc R U . . .
C27 C 0.2594(2) 0.39794(16) 0.32294(12) 0.0343(5) Uani 1 1 d . . . . .
H27A H 0.2045 0.3548 0.3017 0.041 Uiso 1 1 calc R U . . .
C28 C 0.2457(2) 0.49929(16) 0.28867(12) 0.0345(5) Uani 1 1 d . . . . .
H28A H 0.1829 0.5253 0.2434 0.041 Uiso 1 1 calc R U . . .
C29 C 0.3235(2) 0.56222(15) 0.32061(12) 0.0301(5) Uani 1 1 d . . . . .
H29A H 0.3126 0.6320 0.2979 0.036 Uiso 1 1 calc R U . . .
C30 C 0.4176(2) 0.52447(14) 0.38571(10) 0.0221(4) Uani 1 1 d . . . . .
C31 C 0.5836(2) 0.16252(15) -0.16118(12) 0.0305(5) Uani 1 1 d . . . . .
H31A H 0.6639 0.1931 -0.1534 0.037 Uiso 1 1 calc R U . . .
C32 C 0.5321(2) 0.16914(15) -0.24198(12) 0.0349(5) Uani 1 1 d . . . . .
H32A H 0.5782 0.2032 -0.2896 0.042 Uiso 1 1 calc R U . . .
C33 C 0.4147(2) 0.12669(15) -0.25369(12) 0.0350(5) Uani 1 1 d . . . . .
H33A H 0.3796 0.1316 -0.3094 0.042 Uiso 1 1 calc R U . . .
C34 C 0.3468(2) 0.07633(15) -0.18415(12) 0.0315(5) Uani 1 1 d . . . . .
H34A H 0.2654 0.0471 -0.1924 0.038 Uiso 1 1 calc R U . . .
C35 C 0.3982(2) 0.06899(14) -0.10307(11) 0.0236(4) Uani 1 1 d . . . . .
C36 C 0.5187(2) 0.11155(13) -0.09147(11) 0.0237(4) Uani 1 1 d . . . . .
C37 C 0.5754(2) 0.09752(14) -0.00256(11) 0.0250(4) Uani 1 1 d . . . . .
H37A H 0.6381 0.1498 -0.0008 0.030 Uiso 1 1 calc R U . . .
C38 C 0.6656(2) -0.01117(14) 0.02367(11) 0.0262(5) Uani 1 1 d . . . . .
C39 C 0.8156(2) -0.00037(19) 0.04273(14) 0.0424(6) Uani 1 1 d . . . . .
H39A H 0.8787 -0.0608 0.0576 0.051 Uiso 1 1 calc R U . . .
C40 C 0.4523(2) 0.11634(14) 0.05839(11) 0.0258(4) Uani 1 1 d . . . . .
C41 C 0.3312(2) 0.07531(14) 0.04762(11) 0.0266(5) Uani 1 1 d . . . . .
C42 C 0.2166(2) 0.09041(16) 0.10283(13) 0.0366(5) Uani 1 1 d . . . . .
H42A H 0.1334 0.0628 0.0958 0.044 Uiso 1 1 calc R U . . .
C43 C 0.2243(3) 0.14570(17) 0.16790(13) 0.0468(6) Uani 1 1 d . . . . .
H43A H 0.1458 0.1565 0.2052 0.056 Uiso 1 1 calc R U . . .
C44 C 0.3451(3) 0.18530(17) 0.17897(13) 0.0443(6) Uani 1 1 d . . . . .
H44A H 0.3504 0.2225 0.2243 0.053 Uiso 1 1 calc R U . . .
C45 C 0.4583(2) 0.17070(15) 0.12400(12) 0.0351(5) Uani 1 1 d . . . . .
H45A H 0.5414 0.1984 0.1314 0.042 Uiso 1 1 calc R U . . .
C46 C -0.1744(3) 0.35555(18) -0.02986(14) 0.0476(6) Uani 1 1 d . . . . .
C47 C -0.2367(3) 0.38302(17) 0.05128(14) 0.0475(6) Uani 1 1 d . . . . .
C48 C -0.3837(3) 0.3974(2) 0.06303(18) 0.0639(8) Uani 1 1 d . . . . .
H48A H -0.4427 0.3889 0.0191 0.077 Uiso 1 1 calc R U . . .
C49 C -0.4416(4) 0.4237(2) 0.1380(2) 0.0796(10) Uani 1 1 d . . . . .
H49A H -0.5409 0.4342 0.1451 0.095 Uiso 1 1 calc R U . . .
C50 C -0.3589(4) 0.4350(2) 0.2027(2) 0.0790(10) Uani 1 1 d . . . . .
H50A H -0.4010 0.4518 0.2546 0.095 Uiso 1 1 calc R U . . .
C51 C -0.2142(4) 0.42227(19) 0.19283(16) 0.0680(9) Uani 1 1 d . . . . .
H51A H -0.1570 0.4306 0.2377 0.082 Uiso 1 1 calc R U . . .
C52 C -0.1520(3) 0.39687(16) 0.11588(14) 0.0473(6) Uani 1 1 d . . . . .
C53 C 0.0021(3) 0.38826(18) 0.10352(15) 0.0538(7) Uani 1 1 d . . . . .
C54 C 0.0650(3) 0.36438(16) 0.02128(14) 0.0444(6) Uani 1 1 d . . . . .
C55 C 0.2093(3) 0.35866(18) 0.00715(18) 0.0583(7) Uani 1 1 d . . . . .
H55A H 0.2674 0.3710 0.0501 0.070 Uiso 1 1 calc R U . . .
C56 C 0.2687(3) 0.33508(19) -0.06926(19) 0.0627(8) Uani 1 1 d . . . . .
H56A H 0.3675 0.3305 -0.0786 0.075 Uiso 1 1 calc R U . . .
C57 C 0.1841(3) 0.31840(19) -0.13152(18) 0.0622(8) Uani 1 1 d . . . . .
H57A H 0.2251 0.3028 -0.1840 0.075 Uiso 1 1 calc R U . . .
C58 C 0.0410(3) 0.32392(19) -0.11909(15) 0.0539(7) Uani 1 1 d . . . . .
H58A H -0.0159 0.3121 -0.1628 0.065 Uiso 1 1 calc R U . . .
C59 C -0.0208(3) 0.34691(16) -0.04234(14) 0.0433(6) 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'
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
C2 C1 C6 119.58(17) . . ?
C2 C1 C8 122.74(16) . 2_556 ?
C6 C1 C8 117.68(16) . 2_556 ?
C1 C2 C3 120.45(18) . . ?
C4 C3 C2 119.99(18) . . ?
C5 C4 C3 119.86(19) . . ?
C4 C5 C6 120.58(18) . . ?
C5 C6 C1 119.50(17) . . ?
C5 C6 C7 123.64(16) . . ?
C1 C6 C7 116.83(16) . . ?
C9 C7 C10 108.68(14) . . ?
C9 C7 C6 107.72(15) . . ?
C10 C7 C6 107.58(14) . . ?
C9 C7 C8 109.95(14) . . ?
C10 C7 C8 111.36(15) . . ?
C6 C7 C8 111.41(14) . . ?
C1 C8 C15 108.28(14) 2_556 2_556 ?
C1 C8 C7 112.32(13) 2_556 . ?
C15 C8 C7 111.58(14) 2_556 . ?
O1 C9 C7 125.93(18) . . ?
C11 C10 C15 119.61(16) . . ?
C11 C10 C7 123.44(16) . . ?
C15 C10 C7 116.92(15) . . ?
C10 C11 C12 120.18(18) . . ?
C13 C12 C11 120.29(18) . . ?
C12 C13 C14 120.14(18) . . ?
C15 C14 C13 119.86(18) . . ?
C14 C15 C10 119.92(16) . . ?
C14 C15 C8 122.49(16) . 2_556 ?
C10 C15 C8 117.58(15) . 2_556 ?
C17 C16 C21 119.63(19) . . ?
C17 C16 C23 122.84(17) . 2_666 ?
C21 C16 C23 117.53(16) . 2_666 ?
C16 C17 C18 120.4(2) . . ?
C19 C18 C17 120.1(2) . . ?
C18 C19 C20 120.5(2) . . ?
C21 C20 C19 120.1(2) . . ?
C20 C21 C16 119.27(18) . . ?
C20 C21 C22 123.81(17) . . ?
C16 C21 C22 116.91(17) . . ?
C24 C22 C21 108.97(15) . . ?
C24 C22 C25 106.78(14) . . ?
C21 C22 C25 107.12(14) . . ?
C24 C22 C23 110.26(14) . . ?
C21 C22 C23 111.75(14) . . ?
C25 C22 C23 111.77(15) . . ?
C16 C23 C30 107.49(14) 2_666 2_666 ?
C16 C23 C22 112.52(14) 2_666 . ?
C30 C23 C22 112.75(14) 2_666 . ?
O2 C24 C22 125.89(17) . . ?
C26 C25 C30 119.86(18) . . ?
C26 C25 C22 123.30(17) . . ?
C30 C25 C22 116.81(15) . . ?
C27 C26 C25 119.94(19) . . ?
C26 C27 C28 120.44(18) . . ?
C29 C28 C27 119.7(2) . . ?
C28 C29 C30 120.56(19) . . ?
C29 C30 C25 119.45(17) . . ?
C29 C30 C23 123.10(17) . 2_666 ?
C25 C30 C23 117.41(16) . 2_666 ?
C32 C31 C36 120.40(19) . . ?
C33 C32 C31 120.21(18) . . ?
C32 C33 C34 120.20(18) . . ?
C35 C34 C33 119.88(19) . . ?
C34 C35 C36 119.75(17) . . ?
C34 C35 C38 123.41(17) . 2_655 ?
C36 C35 C38 116.76(16) . 2_655 ?
C31 C36 C35 119.54(17) . . ?
C31 C36 C37 122.37(17) . . ?
C35 C36 C37 118.07(15) . . ?
C36 C37 C40 108.06(16) . . ?
C36 C37 C38 112.32(14) . . ?
C40 C37 C38 112.02(14) . . ?
C39 C38 C35 108.41(16) . 2_655 ?
C39 C38 C41 108.69(17) . 2_655 ?
C35 C38 C41 107.27(14) 2_655 2_655 ?
C39 C38 C37 110.39(16) . . ?
C35 C38 C37 110.74(15) 2_655 . ?
C41 C38 C37 111.23(15) 2_655 . ?
O3 C39 C38 125.9(2) . . ?
C45 C40 C41 119.76(18) . . ?
C45 C40 C37 122.20(18) . . ?
C41 C40 C37 118.03(16) . . ?
C40 C41 C42 119.57(18) . . ?
C40 C41 C38 117.02(16) . 2_655 ?
C42 C41 C38 123.36(18) . 2_655 ?
C43 C42 C41 119.8(2) . . ?
C44 C43 C42 120.4(2) . . ?
C43 C44 C45 119.7(2) . . ?
C40 C45 C44 120.7(2) . . ?
O5 C46 C59 120.9(2) . . ?
O5 C46 C47 120.4(2) . . ?
C59 C46 C47 118.7(2) . . ?
C52 C47 C48 119.3(2) . . ?
C52 C47 C46 120.8(2) . . ?
C48 C47 C46 119.9(2) . . ?
C49 C48 C47 119.9(3) . . ?
C50 C49 C48 121.2(3) . . ?
C49 C50 C51 120.3(3) . . ?
C50 C51 C52 119.7(3) . . ?
C47 C52 C51 119.6(3) . . ?
C47 C52 C53 120.5(2) . . ?
C51 C52 C53 119.8(2) . . ?
O4 C53 C52 121.2(2) . . ?
O4 C53 C54 119.8(3) . . ?
C52 C53 C54 119.0(2) . . ?
C55 C54 C59 119.8(2) . . ?
C55 C54 C53 120.1(2) . . ?
C59 C54 C53 120.1(2) . . ?
C56 C55 C54 120.3(3) . . ?
C57 C56 C55 119.7(3) . . ?
C56 C57 C58 121.1(3) . . ?
C57 C58 C59 120.1(3) . . ?
C58 C59 C54 119.1(2) . . ?
C58 C59 C46 120.1(2) . . ?
C54 C59 C46 120.8(2) . . ?
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
O1 C9 1.197(2) . ?
O2 C24 1.196(2) . ?
O3 C39 1.204(3) . ?
O4 C53 1.216(3) . ?
O5 C46 1.243(3) . ?
C1 C2 1.382(3) . ?
C1 C6 1.400(2) . ?
C1 C8 1.506(3) 2_556 ?
C2 C3 1.387(3) . ?
C3 C4 1.383(3) . ?
C4 C5 1.383(3) . ?
C5 C6 1.385(3) . ?
C6 C7 1.538(2) . ?
C7 C9 1.519(3) . ?
C7 C10 1.537(2) . ?
C7 C8 1.602(3) . ?
C8 C1 1.506(3) 2_556 ?
C8 C15 1.513(2) 2_556 ?
C10 C11 1.384(2) . ?
C10 C15 1.398(2) . ?
C11 C12 1.388(3) . ?
C12 C13 1.371(3) . ?
C13 C14 1.395(3) . ?
C14 C15 1.383(2) . ?
C15 C8 1.513(2) 2_556 ?
C16 C17 1.383(3) . ?
C16 C21 1.402(3) . ?
C16 C23 1.504(3) 2_666 ?
C17 C18 1.383(3) . ?
C18 C19 1.365(3) . ?
C19 C20 1.391(3) . ?
C20 C21 1.384(3) . ?
C21 C22 1.521(3) . ?
C22 C24 1.520(3) . ?
C22 C25 1.541(3) . ?
C22 C23 1.609(2) . ?
C23 C16 1.504(3) 2_666 ?
C23 C30 1.507(2) 2_666 ?
C25 C26 1.388(3) . ?
C25 C30 1.397(3) . ?
C26 C27 1.383(3) . ?
C27 C28 1.386(3) . ?
C28 C29 1.380(3) . ?
C29 C30 1.389(3) . ?
C30 C23 1.507(2) 2_666 ?
C31 C32 1.382(3) . ?
C31 C36 1.386(3) . ?
C32 C33 1.372(3) . ?
C33 C34 1.395(3) . ?
C34 C35 1.384(3) . ?
C35 C36 1.398(3) . ?
C35 C38 1.532(2) 2_655 ?
C36 C37 1.511(3) . ?
C37 C40 1.517(3) . ?
C37 C38 1.602(3) . ?
C38 C39 1.519(3) . ?
C38 C35 1.532(2) 2_655 ?
C38 C41 1.533(3) 2_655 ?
C40 C45 1.378(3) . ?
C40 C41 1.390(3) . ?
C41 C42 1.392(3) . ?
C41 C38 1.533(3) 2_655 ?
C42 C43 1.382(3) . ?
C43 C44 1.378(3) . ?
C44 C45 1.380(3) . ?
C46 C59 1.472(3) . ?
C46 C47 1.479(3) . ?
C47 C52 1.390(3) . ?
C47 C48 1.407(4) . ?
C48 C49 1.372(4) . ?
C49 C50 1.367(5) . ?
C50 C51 1.382(5) . ?
C51 C52 1.410(3) . ?
C52 C53 1.476(4) . ?
C53 C54 1.481(3) . ?
C54 C55 1.390(4) . ?
C54 C59 1.402(3) . ?
C55 C56 1.385(4) . ?
C56 C57 1.374(4) . ?
C57 C58 1.375(4) . ?
C58 C59 1.396(3) . ?
