#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:40:15 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178958 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/87/4118720.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_4118720
loop_
_publ_author_name
'Xing Tan'
'Bingxian Liu'
'Xiangyu Li'
'Bin Li'
'Shansheng Xu'
'Haibin Song'
'Baiquan Wang'
_publ_section_title
;
 Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted
 Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and
 C(sp2)-H/O-H Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16163
_journal_page_last               16166
_journal_paper_doi               10.1021/ja3075242
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C59 H47 Cl3 N2 O2'
_chemical_formula_weight         922.34
_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
_cell_angle_alpha                110.638(10)
_cell_angle_beta                 97.188(19)
_cell_angle_gamma                101.563(13)
_cell_formula_units_Z            1
_cell_length_a                   9.1944(19)
_cell_length_b                   10.540(2)
_cell_length_c                   13.496(3)
_cell_measurement_reflns_used    3923
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.1
_cell_volume                     1171.5(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9785
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.243
_exptl_absorpt_correction_T_max  0.9761
_exptl_absorpt_correction_T_min  0.9440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_description       Prism
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.318
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4111
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                2835
_reflns_number_total             4111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja3075242_si_002_6.cif
_cod_data_source_block           3af
_cod_original_cell_volume        1171.4(4)
_cod_database_code               4118720
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
O1 O 0.04312(14) 0.73272(12) 0.78658(9) 0.0240(3) Uani 1 1 d .
N1 N 0.12983(19) 0.47130(16) 0.85705(12) 0.0325(4) Uani 1 1 d .
C1 C -0.0058(2) 0.80021(18) 0.72204(14) 0.0223(4) Uani 1 1 d .
C2 C 0.0172(2) 0.94039(18) 0.75800(14) 0.0215(4) Uani 1 1 d .
C3 C 0.0969(2) 1.02735(17) 0.86977(14) 0.0205(4) Uani 1 1 d .
C4 C 0.1215(2) 1.17157(17) 0.91558(14) 0.0234(4) Uani 1 1 d .
H4 H 0.0839 1.2192 0.8742 0.028 Uiso 1 1 calc R
C5 C 0.2016(2) 1.24765(18) 1.02287(14) 0.0257(4) Uani 1 1 d .
H5 H 0.2163 1.3466 1.0536 0.031 Uiso 1 1 calc R
C6 C 0.2592(2) 1.18285(17) 1.08451(14) 0.0244(4) Uani 1 1 d .
H6 H 0.3150 1.2379 1.1565 0.029 Uiso 1 1 calc R
C7 C 0.23712(19) 1.03531(18) 1.04296(13) 0.0209(4) Uani 1 1 d .
C8 C 0.2951(2) 0.96204(17) 1.10413(14) 0.0213(4) Uani 1 1 d .
C9 C 0.26946(19) 0.81820(18) 1.05644(13) 0.0209(4) Uani 1 1 d .
C10 C 0.18249(19) 0.74182(17) 0.94874(13) 0.0201(4) Uani 1 1 d .
C11 C 0.12619(19) 0.81168(17) 0.88989(13) 0.0200(4) Uani 1 1 d .
C12 C 0.15338(19) 0.95903(17) 0.93462(13) 0.0199(4) Uani 1 1 d .
C13 C -0.0829(2) 0.69483(17) 0.61136(14) 0.0241(4) Uani 1 1 d .
C14 C -0.0160(2) 0.69057(19) 0.52336(14) 0.0311(5) Uani 1 1 d .
H14 H 0.0786 0.7553 0.5345 0.037 Uiso 1 1 calc R
C15 C -0.0855(3) 0.5937(2) 0.42061(15) 0.0370(5) Uani 1 1 d .
H15 H -0.0390 0.5919 0.3613 0.044 Uiso 1 1 calc R
C16 C -0.2228(2) 0.4993(2) 0.40375(16) 0.0376(5) Uani 1 1 d .
H16 H -0.2708 0.4324 0.3328 0.045 Uiso 1 1 calc R
C17 C -0.2907(2) 0.5017(2) 0.48989(17) 0.0382(5) Uani 1 1 d .
H17 H -0.3855 0.4368 0.4780 0.046 Uiso 1 1 calc R
C18 C -0.2203(2) 0.59917(19) 0.59405(15) 0.0313(5) Uani 1 1 d .
H18 H -0.2665 0.6000 0.6533 0.038 Uiso 1 1 calc R
C19 C -0.0364(2) 1.00923(18) 0.68465(14) 0.0276(4) Uani 1 1 d .
H19A H -0.0903 1.0777 0.7232 0.033 Uiso 1 1 calc R
H19B H -0.1099 0.9366 0.6198 0.033 Uiso 1 1 calc R
C20 C 0.0926(2) 1.0847(2) 0.64834(15) 0.0362(5) Uani 1 1 d .
H20A H 0.1658 1.1568 0.7121 0.054 Uiso 1 1 calc R
H20B H 0.0514 1.1291 0.6025 0.054 Uiso 1 1 calc R
H20C H 0.1434 1.0167 0.6071 0.054 Uiso 1 1 calc R
C21 C 0.3878(2) 1.04378(18) 1.21818(14) 0.0255(4) Uani 1 1 d .
H21A H 0.3832 0.9805 1.2579 0.031 Uiso 1 1 calc R
H21B H 0.3421 1.1201 1.2557 0.031 Uiso 1 1 calc R
C22 C 0.5550(2) 1.1081(2) 1.22218(16) 0.0365(5) Uani 1 1 d .
H22A H 0.6034 1.0327 1.1909 0.055 Uiso 1 1 calc R
H22B H 0.6078 1.1647 1.2976 0.055 Uiso 1 1 calc R
H22C H 0.5603 1.1679 1.1805 0.055 Uiso 1 1 calc R
C23 C 0.3304(2) 0.73609(17) 1.11450(14) 0.0236(4) Uani 1 1 d .
C24 C 0.4719(2) 0.7132(2) 1.10901(18) 0.0383(5) Uani 1 1 d .
H24 H 0.5316 0.7495 1.0677 0.046 Uiso 1 1 calc R
C25 C 0.5283(2) 0.6370(2) 1.1636(2) 0.0489(6) Uani 1 1 d .
H25 H 0.6256 0.6208 1.1587 0.059 Uiso 1 1 calc R
C26 C 0.4437(3) 0.5858(2) 1.22416(18) 0.0471(6) Uani 1 1 d .
H26 H 0.4832 0.5361 1.2629 0.057 Uiso 1 1 calc R
C27 C 0.3009(3) 0.6065(2) 1.22891(17) 0.0432(6) Uani 1 1 d .
H27 H 0.2412 0.5695 1.2700 0.052 Uiso 1 1 calc R
C28 C 0.2445(2) 0.68078(19) 1.17419(14) 0.0310(5) Uani 1 1 d .
H28 H 0.1458 0.6941 1.1775 0.037 Uiso 1 1 calc R
C29 C 0.1534(2) 0.59146(19) 0.89807(14) 0.0252(4) Uani 1 1 d .
Cl1 Cl 0.3336(4) 0.8896(4) 0.4650(3) 0.0626(9) Uani 0.51 1 d PD
Cl2 Cl 0.59998(12) 0.79541(10) 0.48693(8) 0.0379(3) Uani 0.50 1 d PD
Cl3 Cl 0.6203(4) 1.0853(4) 0.5155(3) 0.0835(14) Uani 0.51 1 d PD
C30 C 0.5173(4) 0.9089(4) 0.4450(3) 0.0327(9) Uani 0.50 1 d PD
H30A H 0.5145 0.8840 0.3690 0.039 Uiso 0.50 1 d PR
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'
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
C11 O1 C1 119.27(13) . .
C2 C1 O1 123.01(16) . .
C2 C1 C13 127.15(16) . .
O1 C1 C13 109.84(14) . .
C1 C2 C3 119.24(16) . .
C1 C2 C19 121.17(16) . .
C3 C2 C19 119.58(15) . .
C4 C3 C12 118.46(16) . .
C4 C3 C2 123.69(17) . .
C12 C3 C2 117.85(15) . .
C3 C4 C5 120.13(17) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 121.58(16) . .
C6 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
C5 C6 C7 121.22(17) . .
C5 C6 H6 119.4 . .
C7 C6 H6 119.4 . .
C6 C7 C12 116.65(16) . .
C6 C7 C8 123.48(16) . .
C12 C7 C8 119.87(16) . .
C9 C8 C7 119.39(16) . .
C9 C8 C21 120.82(17) . .
C7 C8 C21 119.75(15) . .
C8 C9 C10 120.54(16) . .
C8 C9 C23 122.09(16) . .
C10 C9 C23 117.37(15) . .
C11 C10 C9 120.22(15) . .
C11 C10 C29 118.49(16) . .
C9 C10 C29 121.28(16) . .
O1 C11 C10 117.69(15) . .
O1 C11 C12 121.31(16) . .
C10 C11 C12 121.00(16) . .
C11 C12 C7 118.94(16) . .
C11 C12 C3 119.13(16) . .
C7 C12 C3 121.93(16) . .
C18 C13 C14 119.00(16) . .
C18 C13 C1 120.96(16) . .
C14 C13 C1 120.03(16) . .
C15 C14 C13 120.78(18) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 119.96(18) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C17 120.11(18) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C16 C17 C18 120.06(18) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C13 C18 C17 120.08(18) . .
C13 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C2 C19 C20 113.10(16) . .
C2 C19 H19A 109.0 . .
C20 C19 H19A 109.0 . .
C2 C19 H19B 109.0 . .
C20 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C8 C21 C22 113.07(14) . .
C8 C21 H21A 109.0 . .
C22 C21 H21A 109.0 . .
C8 C21 H21B 109.0 . .
C22 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C28 118.77(18) . .
C24 C23 C9 120.79(17) . .
C28 C23 C9 120.44(16) . .
C23 C24 C25 120.5(2) . .
C23 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C26 C25 C24 120.0(2) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 119.9(2) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 120.1(2) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C27 C28 C23 120.65(19) . .
C27 C28 H28 119.7 . .
C23 C28 H28 119.7 . .
N1 C29 C10 179.6(2) . .
Cl3 Cl1 C30 43.4(8) 2_676 .
Cl3 Cl1 C30 32.6(9) 2_676 2_676
C30 Cl1 C30 64.9(2) . 2_676
Cl1 Cl3 C30 124.3(10) 2_676 2_676
Cl1 Cl3 C30 139.6(11) 2_676 .
C30 Cl3 C30 80.9(3) 2_676 .
Cl1 Cl3 Cl3 151.7(12) 2_676 2_676
C30 Cl3 Cl3 45.3(2) 2_676 2_676
C30 Cl3 Cl3 35.60(16) . 2_676
Cl3 C30 Cl1 12.2(3) 2_676 .
Cl3 C30 Cl2 108.4(3) 2_676 .
Cl1 C30 Cl2 109.6(2) . .
Cl3 C30 Cl3 99.1(3) 2_676 .
Cl1 C30 Cl3 109.1(3) . .
Cl2 C30 Cl3 111.9(2) . .
Cl3 C30 Cl1 104.5(3) 2_676 2_676
Cl1 C30 Cl1 115.1(2) . 2_676
Cl2 C30 Cl1 104.6(2) . 2_676
Cl3 C30 Cl1 7.8(2) . 2_676
Cl3 C30 H30A 119.8 2_676 .
Cl1 C30 H30A 108.8 . .
Cl2 C30 H30A 108.5 . .
Cl3 C30 H30A 108.9 . .
Cl1 C30 H30A 110.1 2_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C11 1.371(2) .
O1 C1 1.391(2) .
N1 C29 1.150(2) .
C1 C2 1.344(2) .
C1 C13 1.489(2) .
C2 C3 1.460(2) .
C2 C19 1.509(2) .
C3 C4 1.382(2) .
C3 C12 1.426(2) .
C4 C5 1.400(3) .
C4 H4 0.9500 .
C5 C6 1.369(3) .
C5 H5 0.9500 .
C6 C7 1.416(2) .
C6 H6 0.9500 .
C7 C12 1.421(2) .
C7 C8 1.438(2) .
C8 C9 1.378(2) .
C8 C21 1.510(2) .
C9 C10 1.424(2) .
C9 C23 1.496(2) .
C10 C11 1.380(2) .
C10 C29 1.439(2) .
C11 C12 1.409(2) .
C13 C18 1.384(3) .
C13 C14 1.395(3) .
C14 C15 1.376(3) .
C14 H14 0.9500 .
C15 C16 1.379(3) .
C15 H15 0.9500 .
C16 C17 1.382(3) .
C16 H16 0.9500 .
C17 C18 1.392(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.524(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.537(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.376(3) .
C23 C28 1.385(3) .
C24 C25 1.394(3) .
C24 H24 0.9500 .
C25 C26 1.366(3) .
C25 H25 0.9500 .
C26 C27 1.379(3) .
C26 H26 0.9500 .
C27 C28 1.379(3) .
C27 H27 0.9500 .
C28 H28 0.9500 .
Cl1 Cl3 0.443(7) 2_676
Cl1 C30 1.727(4) .
Cl1 C30 2.112(6) 2_676
Cl2 C30 1.750(4) .
Cl3 Cl1 0.443(7) 2_676
Cl3 C30 1.437(6) 2_676
Cl3 C30 1.755(5) .
Cl3 Cl3 2.438(8) 2_676
C30 Cl3 1.437(6) 2_676
C30 Cl1 2.112(6) 2_676
C30 H30A 0.9600 .
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
C11 O1 C1 C2 -3.8(2) . .
C11 O1 C1 C13 175.67(13) . .
O1 C1 C2 C3 -0.1(3) . .
C13 C1 C2 C3 -179.43(16) . .
O1 C1 C2 C19 179.35(15) . .
C13 C1 C2 C19 0.0(3) . .
C1 C2 C3 C4 -177.59(16) . .
C19 C2 C3 C4 3.0(3) . .
C1 C2 C3 C12 2.9(2) . .
C19 C2 C3 C12 -176.52(15) . .
C12 C3 C4 C5 0.7(2) . .
C2 C3 C4 C5 -178.77(15) . .
C3 C4 C5 C6 0.9(3) . .
C4 C5 C6 C7 -1.5(3) . .
C5 C6 C7 C12 0.3(2) . .
C5 C6 C7 C8 179.99(16) . .
C6 C7 C8 C9 -179.24(15) . .
C12 C7 C8 C9 0.4(2) . .
C6 C7 C8 C21 -1.3(3) . .
C12 C7 C8 C21 178.31(14) . .
C7 C8 C9 C10 -1.9(2) . .
C21 C8 C9 C10 -179.77(15) . .
C7 C8 C9 C23 178.25(15) . .
C21 C8 C9 C23 0.4(3) . .
C8 C9 C10 C11 1.7(2) . .
C23 C9 C10 C11 -178.45(15) . .
C8 C9 C10 C29 -179.39(16) . .
C23 C9 C10 C29 0.5(2) . .
C1 O1 C11 C10 -175.25(15) . .
C1 O1 C11 C12 4.7(2) . .
C9 C10 C11 O1 -179.97(14) . .
C29 C10 C11 O1 1.1(2) . .
C9 C10 C11 C12 0.1(3) . .
C29 C10 C11 C12 -178.89(15) . .
O1 C11 C12 C7 178.51(14) . .
C10 C11 C12 C7 -1.5(2) . .
O1 C11 C12 C3 -1.8(2) . .
C10 C11 C12 C3 178.13(15) . .
C6 C7 C12 C11 -179.04(15) . .
C8 C7 C12 C11 1.3(2) . .
C6 C7 C12 C3 1.3(2) . .
C8 C7 C12 C3 -178.36(15) . .
C4 C3 C12 C11 178.52(15) . .
C2 C3 C12 C11 -2.0(2) . .
C4 C3 C12 C7 -1.8(2) . .
C2 C3 C12 C7 177.67(15) . .
C2 C1 C13 C18 -113.1(2) . .
O1 C1 C13 C18 67.5(2) . .
C2 C1 C13 C14 67.5(3) . .
O1 C1 C13 C14 -111.89(18) . .
C18 C13 C14 C15 0.5(3) . .
C1 C13 C14 C15 179.87(18) . .
C13 C14 C15 C16 -0.1(3) . .
C14 C15 C16 C17 0.0(3) . .
C15 C16 C17 C18 -0.3(3) . .
C14 C13 C18 C17 -0.8(3) . .
C1 C13 C18 C17 179.83(18) . .
C16 C17 C18 C13 0.7(3) . .
C1 C2 C19 C20 -106.1(2) . .
C3 C2 C19 C20 73.3(2) . .
C9 C8 C21 C22 96.6(2) . .
C7 C8 C21 C22 -81.3(2) . .
C8 C9 C23 C24 -89.3(2) . .
C10 C9 C23 C24 90.8(2) . .
C8 C9 C23 C28 91.2(2) . .
C10 C9 C23 C28 -88.7(2) . .
C28 C23 C24 C25 -0.7(3) . .
C9 C23 C24 C25 179.75(17) . .
C23 C24 C25 C26 -0.7(3) . .
C24 C25 C26 C27 1.7(3) . .
C25 C26 C27 C28 -1.1(3) . .
C26 C27 C28 C23 -0.4(3) . .
C24 C23 C28 C27 1.3(3) . .
C9 C23 C28 C27 -179.21(16) . .
C11 C10 C29 N1 14(40) . .
C9 C10 C29 N1 -165(100) . .
C30 Cl1 C30 Cl3 30.9(13) 2_676 2_676
Cl3 Cl1 C30 Cl2 86.6(14) 2_676 .
C30 Cl1 C30 Cl2 117.5(3) 2_676 .
Cl3 Cl1 C30 Cl3 -36.3(15) 2_676 .
C30 Cl1 C30 Cl3 -5.4(2) 2_676 .
Cl3 Cl1 C30 Cl1 -30.9(13) 2_676 2_676
C30 Cl1 C30 Cl1 0.0 2_676 2_676
Cl1 Cl3 C30 Cl3 133.9(18) 2_676 2_676
C30 Cl3 C30 Cl3 0.0 2_676 2_676
Cl1 Cl3 C30 Cl1 141.2(15) 2_676 .
C30 Cl3 C30 Cl1 7.3(3) 2_676 .
Cl3 Cl3 C30 Cl1 7.3(3) 2_676 .
Cl1 Cl3 C30 Cl2 19.7(17) 2_676 .
C30 Cl3 C30 Cl2 -114.2(3) 2_676 .
Cl3 Cl3 C30 Cl2 -114.2(3) 2_676 .
C30 Cl3 C30 Cl1 -133.9(18) 2_676 2_676
Cl3 Cl3 C30 Cl1 -133.9(18) 2_676 2_676
