#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:10:05 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290155 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/80/7248077.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_7248077
loop_
_publ_author_name
'Lee, Young Hoon'
'Kusumoto, Sotaro'
'Atoini, Youssef'
'Koide, Yoshihiro'
'Hayami, Shinya'
'Kim, Yang'
'Harrowfield, Jack'
'Thuéry, Pierre'
_publ_section_title
;
 Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and
 (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate
 ligands
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1278
_journal_page_last               1291
_journal_paper_doi               10.1039/D3CE01176C
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C58 H43 Ag2 N2 O16.5 U2'
_chemical_formula_weight         1723.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2023-08-24 deposited with the CCDC.	2024-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.5571(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4596(4)
_cell_length_b                   15.1930(4)
_cell_length_c                   21.8735(5)
_cell_measurement_reflns_used    9349
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.4043
_cell_measurement_theta_min      2.5634
_cell_volume                     5113.5(2)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.16'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1328)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0190
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            90293
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         1.88
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms 70 W'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    7.149
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    2.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3260
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.561
_refine_diff_density_min         -0.875
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6585
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0200P)²+22.0710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0466
_reflns_number_gt                6542
_reflns_number_total             6585
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce01176c2.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' 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 7248070--7248077.cif.
;
_cod_original_formula_sum        'C58 H43 Ag2 N2 O16.50 U2'
_cod_database_code               7248077
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U U1 0.13717(2) 0.23815(2) 0.58682(2) 0.01133(3) Uani d . . . 1 . .
Ag Ag1 0.34039(2) 0.60452(2) 0.59791(2) 0.02090(5) Uani d . . . 1 . .
O O1 0.16643(11) 0.13964(11) 0.62756(8) 0.0174(3) Uani d . . . 1 . .
O O2 0.10737(11) 0.33588(12) 0.54574(8) 0.0179(3) Uani d . . . 1 . .
O O3 0.28426(11) 0.28391(12) 0.59540(8) 0.0167(3) Uani d . . . 1 . .
O O4 0.31447(10) 0.32414(12) 0.50177(7) 0.0156(3) Uani d . . . 1 . .
O O5 0.48899(11) 0.32565(12) 0.45816(8) 0.0177(3) Uani d . . . 1 . .
O O6 0.60045(11) 0.40709(12) 0.49621(8) 0.0188(3) Uani d . . . 1 . .
O O7 0.02325(11) 0.27131(11) 0.65767(8) 0.0149(3) Uani d . . . 1 . .
O O8 0.15578(11) 0.32010(12) 0.68212(8) 0.0179(3) Uani d . . . 1 . .
O O9 0.2401(6) 0.4757(7) 0.5891(5) 0.041(2) Uani d . P . 0.25 . .
N N1 0.2177(2) 0.6359(3) 0.54603(16) 0.0633(10) Uani d U . . 1 . .
C C1 0.43212(14) 0.31583(15) 0.58128(10) 0.0127(4) Uani d . . . 1 . .
H H1 0.461587 0.262223 0.566746 0.015000 Uiso calc U . R 1 . .
C C2 0.47748(14) 0.39727(15) 0.55457(10) 0.0125(4) Uani d . . . 1 . .
H H2 0.430685 0.439852 0.539888 0.015000 Uiso calc U . R 1 . .
C C3 0.33649(14) 0.30822(15) 0.55823(10) 0.0132(4) Uani d . . . 1 . .
C C4 0.52730(14) 0.37515(15) 0.49980(10) 0.0137(4) Uani d . . . 1 . .
C C5 0.44841(14) 0.31669(15) 0.65275(10) 0.0122(4) Uani d . . . 1 . .
H H5 0.416011 0.268767 0.672044 0.015000 Uiso calc U . R 1 . .
C C6 0.53605(14) 0.44357(15) 0.60739(10) 0.0130(4) Uani d . . . 1 . .
H H6 0.570707 0.493034 0.592003 0.016000 Uiso calc U . R 1 . .
C C7 0.42329(14) 0.40730(15) 0.67400(10) 0.0130(4) Uani d . . . 1 . .
C C8 0.47279(14) 0.47468(15) 0.65156(10) 0.0135(4) Uani d . . . 1 . .
C C9 0.45928(15) 0.56267(16) 0.66826(10) 0.0156(4) Uani d . . . 1 . .
H H9 0.493911 0.608574 0.654015 0.019000 Uiso calc U . R 1 . .
C C10 0.39317(16) 0.58143(16) 0.70664(11) 0.0168(4) Uani d . . . 1 . .
H H10 0.383123 0.640435 0.718471 0.020000 Uiso calc U . R 1 . .
C C11 0.34240(15) 0.51319(16) 0.72730(11) 0.0170(4) Uani d . . . 1 . .
H H11 0.297367 0.526400 0.752475 0.020000 Uiso calc U . R 1 . .
C C12 0.35732(15) 0.42639(16) 0.71129(10) 0.0147(4) Uani d . . . 1 . .
H H12 0.322907 0.380361 0.725610 0.018000 Uiso calc U . R 1 . .
C C13 0.54594(14) 0.30626(15) 0.66528(10) 0.0138(4) Uani d . . . 1 . .
C C14 0.59305(14) 0.37288(15) 0.63910(10) 0.0139(4) Uani d . . . 1 . .
C C15 0.68319(15) 0.36804(17) 0.64148(11) 0.0180(4) Uani d . . . 1 . .
H H15 0.715192 0.412408 0.622933 0.022000 Uiso calc U . R 1 . .
C C16 0.72598(16) 0.29681(18) 0.67161(12) 0.0210(5) Uani d . . . 1 . .
H H16 0.787514 0.292964 0.673524 0.025000 Uiso calc U . R 1 . .
C C17 0.67941(18) 0.23148(17) 0.69883(13) 0.0216(5) Uani d . . . 1 . .
H H17 0.709288 0.184089 0.719875 0.026000 Uiso calc U . R 1 . .
C C18 0.58874(17) 0.23565(16) 0.69517(12) 0.0174(5) Uani d . . . 1 . .
H H18 0.556650 0.190632 0.712945 0.021000 Uiso calc U . R 1 . .
C C19 0.04915(14) 0.36876(15) 0.74640(10) 0.0120(4) Uani d . . . 1 . .
H H19 0.079821 0.343410 0.784756 0.014000 Uiso calc U . R 1 . .
C C20 0.07650(14) 0.31644(15) 0.69243(10) 0.0127(4) Uani d . . . 1 . .
C C21 0.08127(15) 0.46626(15) 0.74031(11) 0.0151(4) Uani d . . . 1 . .
H H21 0.143959 0.469083 0.732706 0.018000 Uiso calc U . R 1 . .
C C22 0.02292(16) 0.50672(15) 0.68818(11) 0.0162(4) Uani d . . . 1 . .
C C23 -0.06465(16) 0.51012(15) 0.69994(11) 0.0169(4) Uani d . . . 1 . .
C C24 -0.12681(18) 0.54623(17) 0.65706(12) 0.0211(5) Uani d . . . 1 . .
H H24 -0.185765 0.550047 0.665647 0.025000 Uiso calc U . R 1 . .
C C25 -0.1018(2) 0.57689(18) 0.60118(13) 0.0251(5) Uani d . . . 1 . .
H H25 -0.143707 0.602143 0.571693 0.030000 Uiso calc U . R 1 . .
C C26 -0.0157(2) 0.57044(17) 0.58876(12) 0.0253(5) Uani d . . . 1 . .
H H26 0.000468 0.589708 0.550134 0.030000 Uiso calc U . R 1 . .
C C27 0.04763(18) 0.53606(17) 0.63213(12) 0.0209(5) Uani d . . . 1 . .
H H27 0.106609 0.532762 0.623523 0.025000 Uiso calc U . R 1 . .
C C28 0.1722(2) 0.6444(3) 0.50268(16) 0.0423(8) Uani d U . . 1 . .
C C29 0.11439(18) 0.6536(2) 0.44690(13) 0.0267(5) Uani d . . . 1 . .
H H29A 0.138848 0.622420 0.413334 0.040000 Uiso calc U . R 1 . .
H H29B 0.107650 0.716113 0.436419 0.040000 Uiso calc U . R 1 . .
H H29C 0.057527 0.628517 0.453182 0.040000 Uiso calc U . R 1 . .
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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 U1 O1 . . 179.52(8) ?
O2 U1 O5 . 7_556 88.19(7) ?
O1 U1 O5 . 7_556 91.36(7) ?
O2 U1 O4 . 7_556 90.41(7) ?
O1 U1 O4 . 7_556 89.34(7) ?
O5 U1 O4 7_556 7_556 78.59(6) ?
O2 U1 O3 . . 89.69(7) ?
O1 U1 O3 . . 90.67(7) ?
O5 U1 O3 7_556 . 157.13(6) ?
O4 U1 O3 7_556 . 78.65(6) ?
O2 U1 O8 . . 90.52(7) ?
O1 U1 O8 . . 89.89(7) ?
O5 U1 O8 7_556 . 127.40(6) ?
O4 U1 O8 7_556 . 154.01(6) ?
O3 U1 O8 . . 75.38(6) ?
O2 U1 O7 . . 88.93(7) ?
O1 U1 O7 . . 91.10(7) ?
O5 U1 O7 7_556 . 74.52(6) ?
O4 U1 O7 7_556 . 153.11(6) ?
O3 U1 O7 . . 128.22(6) ?
O8 U1 O7 . . 52.88(5) ?
N1 Ag1 O6 . 5_666 87.29(10) ?
N1 Ag1 C9 . . 169.97(12) ?
O6 Ag1 C9 5_666 . 101.93(7) ?
N1 Ag1 C10 . . 136.73(11) ?
O6 Ag1 C10 5_666 . 135.87(7) ?
C9 Ag1 C10 . . 33.94(8) ?
N1 Ag1 O9 . . 68.0(3) ?
O6 Ag1 O9 5_666 . 99.5(3) ?
C9 Ag1 O9 . . 106.1(2) ?
C10 Ag1 O9 . . 96.2(3) ?
C3 O3 U1 . . 135.06(15) ?
C3 O4 U1 . 7_556 130.49(15) ?
C4 O5 U1 . 7_556 149.53(15) ?
C4 O6 Ag1 . 5_666 117.58(15) ?
C20 O7 U1 . . 91.45(13) ?
C20 O8 U1 . . 95.39(13) ?
C28 N1 Ag1 . . 154.8(3) ?
C3 C1 C5 . . 113.01(18) ?
C3 C1 C2 . . 113.17(18) ?
C5 C1 C2 . . 109.47(17) ?
C3 C1 H1 . . 106.900000 ?
C5 C1 H1 . . 106.900000 ?
C2 C1 H1 . . 106.900000 ?
C4 C2 C1 . . 113.49(18) ?
C4 C2 C6 . . 112.31(18) ?
C1 C2 C6 . . 109.18(17) ?
C4 C2 H2 . . 107.200000 ?
C1 C2 H2 . . 107.200000 ?
C6 C2 H2 . . 107.200000 ?
O3 C3 O4 . . 123.8(2) ?
O3 C3 C1 . . 118.3(2) ?
O4 C3 C1 . . 117.90(19) ?
O6 C4 O5 . . 123.1(2) ?
O6 C4 C2 . . 119.8(2) ?
O5 C4 C2 . . 117.03(19) ?
C13 C5 C7 . . 108.65(18) ?
C13 C5 C1 . . 104.00(17) ?
C7 C5 C1 . . 107.08(18) ?
C13 C5 H5 . . 112.200000 ?
C7 C5 H5 . . 112.200000 ?
C1 C5 H5 . . 112.200000 ?
C14 C6 C8 . . 108.18(18) ?
C14 C6 C2 . . 106.79(18) ?
C8 C6 C2 . . 104.37(17) ?
C14 C6 H6 . . 112.300000 ?
C8 C6 H6 . . 112.300000 ?
C2 C6 H6 . . 112.300000 ?
C8 C7 C12 . . 120.6(2) ?
C8 C7 C5 . . 113.14(19) ?
C12 C7 C5 . . 126.2(2) ?
C7 C8 C9 . . 120.4(2) ?
C7 C8 C6 . . 113.9(2) ?
C9 C8 C6 . . 125.7(2) ?
C8 C9 C10 . . 118.7(2) ?
C8 C9 Ag1 . . 102.24(15) ?
C10 C9 Ag1 . . 76.78(14) ?
C8 C9 H9 . . 120.700000 ?
C10 C9 H9 . . 120.700000 ?
Ag1 C9 H9 . . 90.900000 ?
C11 C10 C9 . . 120.1(2) ?
C11 C10 Ag1 . . 105.85(16) ?
C9 C10 Ag1 . . 69.28(13) ?
C11 C10 H10 . . 119.900000 ?
C9 C10 H10 . . 119.900000 ?
Ag1 C10 H10 . . 94.600000 ?
C12 C11 C10 . . 120.6(2) ?
C12 C11 H11 . . 119.700000 ?
C10 C11 H11 . . 119.700000 ?
C11 C12 C7 . . 119.5(2) ?
C11 C12 H12 . . 120.200000 ?
C7 C12 H12 . . 120.200000 ?
C18 C13 C14 . . 120.5(2) ?
C18 C13 C5 . . 125.9(2) ?
C14 C13 C5 . . 113.5(2) ?
C15 C14 C13 . . 120.3(2) ?
C15 C14 C6 . . 126.2(2) ?
C13 C14 C6 . . 113.40(19) ?
C14 C15 C16 . . 119.0(2) ?
C14 C15 H15 . . 120.500000 ?
C16 C15 H15 . . 120.500000 ?
C17 C16 C15 . . 120.8(2) ?
C17 C16 H16 . . 119.600000 ?
C15 C16 H16 . . 119.600000 ?
C16 C17 C18 . . 120.0(2) ?
C16 C17 H17 . . 120.000000 ?
C18 C17 H17 . . 120.000000 ?
C13 C18 C17 . . 119.4(2) ?
C13 C18 H18 . . 120.300000 ?
C17 C18 H18 . . 120.300000 ?
C20 C19 C19 . 2_556 115.5(2) ?
C20 C19 C21 . . 108.29(17) ?
C19 C19 C21 2_556 . 109.33(11) ?
C20 C19 H19 . . 107.800000 ?
C19 C19 H19 2_556 . 107.800000 ?
C21 C19 H19 . . 107.800000 ?
O7 C20 O8 . . 120.0(2) ?
O7 C20 C19 . . 122.5(2) ?
O8 C20 C19 . . 117.52(19) ?
C23 C21 C22 2_556 . 109.48(19) ?
C23 C21 C19 2_556 . 105.11(18) ?
C22 C21 C19 . . 106.04(18) ?
C23 C21 H21 2_556 . 111.900000 ?
C22 C21 H21 . . 111.900000 ?
C19 C21 H21 . . 111.900000 ?
C27 C22 C23 . . 120.1(2) ?
C27 C22 C21 . . 126.8(2) ?
C23 C22 C21 . . 113.1(2) ?
C24 C23 C22 . . 120.5(2) ?
C24 C23 C21 . 2_556 126.4(2) ?
C22 C23 C21 . 2_556 113.0(2) ?
C23 C24 C25 . . 119.4(2) ?
C23 C24 H24 . . 120.300000 ?
C25 C24 H24 . . 120.300000 ?
C26 C25 C24 . . 120.0(3) ?
C26 C25 H25 . . 120.000000 ?
C24 C25 H25 . . 120.000000 ?
C25 C26 C27 . . 121.0(2) ?
C25 C26 H26 . . 119.500000 ?
C27 C26 H26 . . 119.500000 ?
C22 C27 C26 . . 118.9(2) ?
C22 C27 H27 . . 120.500000 ?
C26 C27 H27 . . 120.500000 ?
N1 C28 C29 . . 178.9(5) ?
C28 C29 H29A . . 109.500000 ?
C28 C29 H29B . . 109.500000 ?
H29A C29 H29B . . 109.500000 ?
C28 C29 H29C . . 109.500000 ?
H29A C29 H29C . . 109.500000 ?
H29B C29 H29C . . 109.500000 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
U1 O2 . 1.7732(17) ?
U1 O1 . 1.7778(17) ?
U1 O5 7_556 2.3107(17) ?
U1 O4 7_556 2.3431(16) ?
U1 O3 . 2.3680(17) ?
U1 O8 . 2.4214(17) ?
U1 O7 . 2.5071(17) ?
Ag1 N1 . 2.167(3) ?
Ag1 O6 5_666 2.3389(17) ?
Ag1 C9 . 2.367(2) ?
Ag1 C10 . 2.464(2) ?
Ag1 O9 . 2.493(9) ?
O3 C3 . 1.256(3) ?
O4 C3 . 1.272(3) ?
O5 C4 . 1.281(3) ?
O6 C4 . 1.240(3) ?
O7 C20 . 1.267(3) ?
O8 C20 . 1.269(3) ?
N1 C28 . 1.132(5) ?
C1 C3 . 1.519(3) ?
C1 C5 . 1.559(3) ?
C1 C2 . 1.563(3) ?
C1 H1 . 1.000000 ?
C2 C4 . 1.523(3) ?
C2 C6 . 1.564(3) ?
C2 H2 . 1.000000 ?
C5 C13 . 1.514(3) ?
C5 C7 . 1.516(3) ?
C5 H5 . 1.000000 ?
C6 C14 . 1.514(3) ?
C6 C8 . 1.515(3) ?
C6 H6 . 1.000000 ?
C7 C8 . 1.396(3) ?
C7 C12 . 1.397(3) ?
C8 C9 . 1.407(3) ?
C9 C10 . 1.413(3) ?
C9 H9 . 0.950000 ?
C10 C11 . 1.401(3) ?
C10 H10 . 0.950000 ?
C11 C12 . 1.389(3) ?
C11 H11 . 0.950000 ?
C12 H12 . 0.950000 ?
C13 C18 . 1.390(3) ?
C13 C14 . 1.401(3) ?
C14 C15 . 1.391(3) ?
C15 C16 . 1.400(4) ?
C15 H15 . 0.950000 ?
C16 C17 . 1.393(4) ?
C16 H16 . 0.950000 ?
C17 C18 . 1.398(4) ?
C17 H17 . 0.950000 ?
C18 H18 . 0.950000 ?
C19 C20 . 1.517(3) ?
C19 C19 2_556 1.543(4) ?
C19 C21 . 1.572(3) ?
C19 H19 . 1.000000 ?
C21 C23 2_556 1.511(3) ?
C21 C22 . 1.514(3) ?
C21 H21 . 1.000000 ?
C22 C27 . 1.392(3) ?
C22 C23 . 1.403(3) ?
C23 C24 . 1.389(3) ?
C24 C25 . 1.397(4) ?
C24 H24 . 0.950000 ?
C25 C26 . 1.388(4) ?
C25 H25 . 0.950000 ?
C26 C27 . 1.397(4) ?
C26 H26 . 0.950000 ?
C27 H27 . 0.950000 ?
C28 C29 . 1.448(4) ?
C29 H29A . 0.980000 ?
C29 H29B . 0.980000 ?
C29 H29C . 0.980000 ?
