#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:19:26 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258855 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705253.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_7705253
loop_
_publ_author_name
'Shen, Guodong'
'Wang, Zeyou'
'Huang, Xianqiang'
'Gong, Shuwen'
'Zhang, Jiangong'
'Tang, Zhenfei'
'Sun, Manman'
'Lv, Xin'
_publ_section_title
;
 Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as
 heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines
 via 2-haloanilines with vinyl azides or
 3-phenyl-2H-azirines.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13993
_journal_page_last               13998
_journal_paper_doi               10.1039/d0dt02625e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C48 H37 Cl Cu2 N8 O21 W6'
_chemical_formula_weight         2327.48
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-09 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.393(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.174(2)
_cell_length_b                   16.2204(14)
_cell_length_c                   14.0404(12)
_cell_measurement_reflns_used    2573
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.251
_cell_measurement_theta_min      2.512
_cell_volume                     5243.8(8)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0524
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.019
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_min         2.511
_exptl_absorpt_coefficient_mu    14.039
_exptl_absorpt_correction_T_max  0.256
_exptl_absorpt_correction_T_min  0.208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.948
_exptl_crystal_description       block
_exptl_crystal_F_000             4272
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.933
_refine_diff_density_min         -3.936
_refine_diff_density_rms         0.309
_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     390
_refine_ls_number_reflns         4636
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1045
_refine_ls_R_factor_gt           0.0551
_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)+(0.1001P)²+8.3574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.1894
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2813
_reflns_number_total             4636
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02625e2.cif
_cod_data_source_block           190312d
_cod_depositor_comments
'Adding full bibliography for 7705251--7705253.cif.'
_cod_original_cell_volume        5243.9(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7705253
_shelx_shelxl_version_number     2018/3
_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   0.148
_shelx_estimated_absorpt_t_max   0.187
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_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
W1 W 0.24567(3) 0.39203(4) 0.50547(6) 0.0364(3) Uani 1 1 d . . . . .
W2 W 0.22616(4) 0.25601(4) 0.31960(6) 0.0449(3) Uani 1 1 d . . . . .
W3 W 0.34695(4) 0.25691(5) 0.54720(9) 0.0560(3) Uani 1 1 d . . . . .
Cu1 Cu 0.46829(9) 0.25040(11) 0.37713(19) 0.0407(6) Uani 1 1 d . . . . .
Cl1 Cl 0.500000 0.1823(4) 0.250000 0.0407(15) Uani 1 2 d S T P . .
N1 N 0.4986(6) 0.1757(7) 0.5111(11) 0.028(3) Uani 1 1 d . . . . .
N2 N 0.4015(5) 0.1751(8) 0.3249(11) 0.034(3) Uani 1 1 d . . . . .
N3 N 0.4238(6) 0.3612(8) 0.3341(11) 0.038(3) Uani 1 1 d . . . . .
N4 N 0.5365(6) 0.3257(8) 0.4230(11) 0.040(3) Uani 1 1 d . . . . .
O1 O 0.2430(5) 0.4957(7) 0.5112(9) 0.047(3) Uani 1 1 d . . . . .
O2 O 0.2649(5) 0.3613(7) 0.6494(9) 0.039(3) Uani 1 1 d . . . . .
O3 O 0.1675(4) 0.3585(7) 0.4631(9) 0.038(3) Uani 1 1 d . . . . .
O4 O 0.2281(5) 0.3691(7) 0.3599(9) 0.046(3) Uani 1 1 d . . . . .
O5 O 0.3252(5) 0.3711(6) 0.5408(10) 0.039(3) Uani 1 1 d . . . . .
O6 O 0.250000 0.250000 0.500000 0.027(4) Uani 1 2 d S . P . .
O7 O 0.2070(10) 0.2627(8) 0.1867(13) 0.088(6) Uani 1 1 d . . . . .
O8 O 0.3087(6) 0.2609(7) 0.3929(11) 0.047(3) Uani 1 1 d . . . . .
O9 O 0.4177(6) 0.2647(8) 0.5795(16) 0.076(5) Uani 1 1 d . . . . .
H9 H 0.425271 0.230332 0.545212 0.092 Uiso 0.5 1 calc R U P . .
O10 O 0.3484(5) 0.2533(6) 0.6838(10) 0.042(3) Uani 1 1 d . . . . .
O11 O 0.2392(15) 0.3264(16) 0.048(2) 0.231(16) Uani 1 1 d . . . . .
H11C H 0.228341 0.312590 0.093721 0.277 Uiso 1 1 d R U . . .
H11D H 0.238821 0.378740 0.043511 0.277 Uiso 1 1 d R U . . .
C1 C 0.5471(7) 0.1749(9) 0.6071(14) 0.035(4) Uani 1 1 d . . . . .
H1 H 0.572626 0.218969 0.622807 0.042 Uiso 1 1 calc R U . . .
C2 C 0.5620(9) 0.1145(11) 0.6840(15) 0.049(5) Uani 1 1 d . . . . .
H2 H 0.597221 0.116034 0.747518 0.059 Uiso 1 1 calc R U . . .
C3 C 0.5237(9) 0.0524(12) 0.6642(16) 0.050(5) Uani 1 1 d . . . . .
H3 H 0.533252 0.010360 0.714878 0.060 Uiso 1 1 calc R U . . .
C4 C 0.4700(8) 0.0497(9) 0.5694(14) 0.034(4) Uani 1 1 d . . . . .
C5 C 0.4585(7) 0.1133(9) 0.4908(12) 0.026(3) Uani 1 1 d . . . . .
C6 C 0.4068(7) 0.1117(10) 0.3905(14) 0.034(4) Uani 1 1 d . . . . .
C7 C 0.3681(7) 0.0510(11) 0.3697(15) 0.038(4) Uani 1 1 d . . . . .
C8 C 0.3773(9) -0.0120(11) 0.4454(19) 0.051(6) Uani 1 1 d . . . . .
H8 H 0.349380 -0.052523 0.430737 0.061 Uiso 1 1 calc R U . . .
C9 C 0.4235(10) -0.0121(11) 0.532(2) 0.056(6) Uani 1 1 d . . . . .
H9A H 0.429206 -0.056051 0.578882 0.068 Uiso 1 1 calc R U . . .
C10 C 0.3178(9) 0.0549(14) 0.265(2) 0.066(7) Uani 1 1 d . . . . .
H10 H 0.288848 0.015266 0.244262 0.079 Uiso 1 1 calc R U . . .
C11 C 0.3126(9) 0.1166(13) 0.1948(18) 0.058(6) Uani 1 1 d . . . . .
H11 H 0.280996 0.118514 0.125665 0.070 Uiso 1 1 calc R U . . .
C12 C 0.3534(8) 0.1737(12) 0.2274(15) 0.047(5) Uani 1 1 d . . . . .
H12 H 0.348732 0.216127 0.179366 0.056 Uiso 1 1 calc R U . . .
C13 C 0.3690(8) 0.3784(12) 0.2973(13) 0.042(4) Uani 1 1 d . . . . .
H13 H 0.342884 0.336236 0.287203 0.050 Uiso 1 1 calc R U . . .
C14 C 0.3484(10) 0.4621(16) 0.2721(15) 0.070(8) Uani 1 1 d . . . . .
H14 H 0.309024 0.472879 0.244879 0.084 Uiso 1 1 calc R U . . .
C15 C 0.3843(10) 0.5236(14) 0.2869(16) 0.059(6) Uani 1 1 d . . . . .
H15 H 0.369883 0.576636 0.265591 0.071 Uiso 1 1 calc R U . . .
C16 C 0.4447(9) 0.5087(12) 0.3352(14) 0.050(5) Uani 1 1 d . . . . .
C17 C 0.4607(8) 0.4246(9) 0.3551(13) 0.035(4) Uani 1 1 d . . . . .
C18 C 0.5212(7) 0.4052(10) 0.4005(13) 0.035(4) Uani 1 1 d . . . . .
C19 C 0.5649(10) 0.4683(13) 0.4243(14) 0.051(5) Uani 1 1 d . . . . .
C20 C 0.5464(13) 0.5520(15) 0.4030(19) 0.073(7) Uani 1 1 d . . . . .
H20 H 0.573256 0.594242 0.418784 0.088 Uiso 1 1 calc R U . . .
C21 C 0.4895(13) 0.5685(11) 0.3598(17) 0.070(8) Uani 1 1 d . . . . .
H21 H 0.478194 0.623310 0.344494 0.084 Uiso 1 1 calc R U . . .
C22 C 0.6221(10) 0.4445(15) 0.4648(16) 0.065(7) Uani 1 1 d . . . . .
H22 H 0.651496 0.482331 0.478342 0.078 Uiso 1 1 calc R U . . .
C23 C 0.6332(10) 0.3620(16) 0.4839(17) 0.068(6) Uani 1 1 d . . . . .
H23 H 0.671479 0.344158 0.513520 0.081 Uiso 1 1 calc R U . . .
C24 C 0.5920(8) 0.3061(13) 0.4622(16) 0.051(5) Uani 1 1 d . . . . .
H24 H 0.602572 0.250815 0.475129 0.061 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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 W1 O2 101.9(5) . . ?
O1 W1 O4 104.6(5) . . ?
O2 W1 O4 153.5(5) . . ?
O1 W1 O3 103.6(5) . . ?
O2 W1 O3 87.7(5) . . ?
O4 W1 O3 86.2(5) . . ?
O1 W1 O5 103.1(5) . . ?
O2 W1 O5 88.4(5) . . ?
O4 W1 O5 85.5(5) . . ?
O3 W1 O5 153.2(5) . . ?
O1 W1 O6 179.3(4) . . ?
O2 W1 O6 77.4(3) . . ?
O4 W1 O6 76.1(3) . . ?
O3 W1 O6 76.6(3) . . ?
O5 W1 O6 76.6(3) . . ?
O7 W2 O8 105.1(9) . . ?
O7 W2 O4 102.6(6) . . ?
O8 W2 O4 86.4(5) . . ?
O7 W2 O10 102.2(9) . 7_556 ?
O8 W2 O10 152.7(5) . 7_556 ?
O4 W2 O10 88.1(5) . 7_556 ?
O7 W2 O2 104.6(5) . 7_556 ?
O8 W2 O2 86.2(5) . 7_556 ?
O4 W2 O2 152.9(5) . 7_556 ?
O10 W2 O2 86.7(4) 7_556 7_556 ?
O7 W2 O6 178.1(7) . . ?
O8 W2 O6 76.3(4) . . ?
O4 W2 O6 76.1(3) . . ?
O10 W2 O6 76.5(4) 7_556 . ?
O2 W2 O6 76.8(3) 7_556 . ?
O9 W3 O10 103.8(8) . . ?
O9 W3 O3 104.3(5) . 7_556 ?
O10 W3 O3 87.3(5) . 7_556 ?
O9 W3 O8 102.7(8) . . ?
O10 W3 O8 153.5(5) . . ?
O3 W3 O8 88.2(5) 7_556 . ?
O9 W3 O5 101.7(5) . . ?
O10 W3 O5 86.6(5) . . ?
O3 W3 O5 154.0(5) 7_556 . ?
O8 W3 O5 86.0(5) . . ?
O9 W3 O6 178.2(6) . . ?
O10 W3 O6 77.2(4) . . ?
O3 W3 O6 77.1(3) 7_556 . ?
O8 W3 O6 76.3(4) . . ?
O5 W3 O6 76.9(3) . . ?
N2 Cu1 N4 177.0(6) . . ?
N2 Cu1 N1 82.1(5) . . ?
N4 Cu1 N1 99.7(5) . . ?
N2 Cu1 N3 98.8(6) . . ?
N4 Cu1 N3 81.7(6) . . ?
N1 Cu1 N3 134.3(5) . . ?
N2 Cu1 Cl1 89.9(4) . . ?
N4 Cu1 Cl1 87.3(4) . . ?
N1 Cu1 Cl1 105.8(3) . . ?
N3 Cu1 Cl1 119.8(4) . . ?
Cu1 Cl1 Cu1 128.6(3) . 2_655 ?
C1 N1 C5 117.4(13) . . ?
C1 N1 Cu1 134.0(11) . . ?
C5 N1 Cu1 108.5(10) . . ?
C6 N2 C12 115.2(15) . . ?
C6 N2 Cu1 115.9(11) . . ?
C12 N2 Cu1 128.5(12) . . ?
C13 N3 C17 117.6(15) . . ?
C13 N3 Cu1 131.6(13) . . ?
C17 N3 Cu1 110.7(11) . . ?
C24 N4 C18 118.3(15) . . ?
C24 N4 Cu1 128.4(12) . . ?
C18 N4 Cu1 113.0(11) . . ?
W1 O2 W2 116.0(5) . 7_556 ?
W3 O3 W1 116.6(5) 7_556 . ?
W1 O4 W2 117.6(6) . . ?
W3 O5 W1 116.1(5) . . ?
W3 O6 W3 180.0 . 7_556 ?
W3 O6 W2 89.98(3) . . ?
W3 O6 W2 90.02(3) 7_556 . ?
W3 O6 W2 90.02(3) . 7_556 ?
W3 O6 W2 89.98(3) 7_556 7_556 ?
W2 O6 W2 180.0 . 7_556 ?
W3 O6 W1 89.62(3) . 7_556 ?
W3 O6 W1 90.38(3) 7_556 7_556 ?
W2 O6 W1 89.86(3) . 7_556 ?
W2 O6 W1 90.14(3) 7_556 7_556 ?
W3 O6 W1 90.38(3) . . ?
W3 O6 W1 89.62(3) 7_556 . ?
W2 O6 W1 90.14(3) . . ?
W2 O6 W1 89.86(3) 7_556 . ?
W1 O6 W1 180.0 7_556 . ?
W2 O8 W3 117.5(6) . . ?
W3 O9 H9 109.5 . . ?
W3 O10 W2 116.2(6) . 7_556 ?
H11C O11 H11D 108.7 . . ?
N1 C1 C2 125.2(16) . . ?
N1 C1 H1 117.4 . . ?
C2 C1 H1 117.4 . . ?
C3 C2 C1 117.8(18) . . ?
C3 C2 H2 121.1 . . ?
C1 C2 H2 121.1 . . ?
C2 C3 C4 121.9(16) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 117.2(14) . . ?
C3 C4 C9 130.2(17) . . ?
C5 C4 C9 112.5(16) . . ?
N1 C5 C6 119.3(13) . . ?
N1 C5 C4 120.4(14) . . ?
C6 C5 C4 120.3(14) . . ?
C7 C6 N2 126.3(17) . . ?
C7 C6 C5 119.7(16) . . ?
N2 C6 C5 114.0(14) . . ?
C6 C7 C8 121.9(17) . . ?
C6 C7 C10 114.7(18) . . ?
C8 C7 C10 123.4(17) . . ?
C9 C8 C7 118.6(18) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C4 127.0(19) . . ?
C8 C9 H9A 116.5 . . ?
C4 C9 H9A 116.5 . . ?
C11 C10 C7 120.1(18) . . ?
C11 C10 H10 120.0 . . ?
C7 C10 H10 120.0 . . ?
C12 C11 C10 119(2) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C11 C12 N2 125.0(19) . . ?
C11 C12 H12 117.5 . . ?
N2 C12 H12 117.5 . . ?
N3 C13 C14 120.9(19) . . ?
N3 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C15 C14 C13 121(2) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 120(2) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C17 115(2) . . ?
C15 C16 C21 127(2) . . ?
C17 C16 C21 118.2(19) . . ?
N3 C17 C16 125.4(18) . . ?
N3 C17 C18 117.2(14) . . ?
C16 C17 C18 117.4(16) . . ?
N4 C18 C17 117.2(14) . . ?
N4 C18 C19 120.7(17) . . ?
C17 C18 C19 122.0(16) . . ?
C22 C19 C20 123(2) . . ?
C22 C19 C18 118.6(19) . . ?
C20 C19 C18 118(2) . . ?
C21 C20 C19 119(2) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C20 C21 C16 125(2) . . ?
C20 C21 H21 117.3 . . ?
C16 C21 H21 117.3 . . ?
C23 C22 C19 116.2(18) . . ?
C23 C22 H22 121.9 . . ?
C19 C22 H22 121.9 . . ?
C24 C23 C22 123(2) . . ?
C24 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
N4 C24 C23 123(2) . . ?
N4 C24 H24 118.6 . . ?
C23 C24 H24 118.6 . . ?
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
W1 O1 1.686(12) . ?
W1 O2 1.902(11) . ?
W1 O4 1.906(12) . ?
W1 O3 1.917(10) . ?
W1 O5 1.928(11) . ?
W1 O6 2.3096(7) . ?
W2 O7 1.690(15) . ?
W2 O8 1.902(14) . ?
W2 O4 1.913(12) . ?
W2 O10 1.935(13) 7_556 ?
W2 O2 1.941(12) 7_556 ?
W2 O6 2.3046(8) . ?
W3 O9 1.688(13) . ?
W3 O10 1.901(13) . ?
W3 O3 1.901(11) 7_556 ?
W3 O8 1.907(14) . ?
W3 O5 1.927(11) . ?
W3 O6 2.3004(9) . ?
Cu1 N2 1.967(13) . ?
Cu1 N4 2.000(13) . ?
Cu1 N1 2.053(12) . ?
Cu1 N3 2.069(14) . ?
Cu1 Cl1 2.551(4) . ?
N1 C1 1.34(2) . ?
N1 C5 1.387(18) . ?
N2 C6 1.34(2) . ?
N2 C12 1.35(2) . ?
N3 C13 1.30(2) . ?
N3 C17 1.34(2) . ?
N4 C24 1.33(2) . ?
N4 C18 1.34(2) . ?
O9 H9 0.8200 . ?
O11 H11C 0.8499 . ?
O11 H11D 0.8499 . ?
C1 C2 1.37(2) . ?
C1 H1 0.9300 . ?
C2 C3 1.35(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.40(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.43(2) . ?
C4 C9 1.47(2) . ?
C5 C6 1.42(2) . ?
C6 C7 1.34(2) . ?
C7 C8 1.41(2) . ?
C7 C10 1.44(3) . ?
C8 C9 1.25(3) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C11 1.36(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.32(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.44(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.32(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.41(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.42(2) . ?
C16 C21 1.43(3) . ?
C17 C18 1.43(2) . ?
C18 C19 1.45(2) . ?
C19 C22 1.38(3) . ?
C19 C20 1.42(3) . ?
C20 C21 1.34(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.37(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.33(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
