#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/75/1507560.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_1507560
loop_
_publ_author_name
'Shi, Min'
'Lu, Jian-Mei'
'Wei, Yin'
'Shao, Li-Xiong'
_publ_section_title
;
 Rapid generation of molecular complexity in the lewis or brønsted
 Acid-mediated reactions of methylenecyclopropanes.
;
_journal_issue                   4
_journal_name_full               'Accounts of chemical research'
_journal_page_first              641
_journal_page_last               652
_journal_paper_doi               10.1021/ar200237z
_journal_volume                  45
_journal_year                    2012
_chemical_formula_sum            'C38 H30 Cl2'
_chemical_formula_weight         557.52
_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                115.256(2)
_cell_angle_beta                 97.283(3)
_cell_angle_gamma                109.275(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3853(15)
_cell_length_b                   12.7318(18)
_cell_length_c                   13.241(2)
_cell_measurement_reflns_used    1417
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.432
_cell_measurement_theta_min      4.450
_cell_volume                     1419.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0810
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7531
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.255
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72999
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.459
_exptl_crystal_size_mid          0.327
_exptl_crystal_size_min          0.234
_refine_diff_density_max         0.423
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5222
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1372
_refine_ls_R_factor_gt           0.0953
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2831
_refine_ls_wR_factor_ref         0.3150
_reflns_number_gt                2773
_reflns_number_total             5222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ar200237z_si_001.cif
_cod_data_source_block           cd27316
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1507560
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
_atom_site_disorder_group
Cl1 Cl 0.0749(17) 0.593(2) 0.6307(13) 0.213(11) Uani 0.291(14) 1 d PD 1
C38 C 0.0961(2) 0.5919(2) 0.5056(2) 0.088(9) Uani 0.291(14) 1 d PD 1
H38A H 0.0246 0.6204 0.4881 0.105 Uiso 0.291(14) 1 calc PR 1
H38B H 0.1867 0.6672 0.5377 0.105 Uiso 0.291(14) 1 calc PR 1
Cl1' Cl 0.1242(2) 0.6316(2) 0.5931(2) 0.184(3) Uani 0.709(14) 1 d PRD 2
C38' C 0.0020(2) 0.5330(2) 0.4640(2) 0.159(7) Uani 0.709(14) 1 d PRD 2
Cl2 Cl 0.1014(2) 0.5097(2) 0.3738(2) 0.211(3) Uiso 1 1 d RD .
C1 C 0.2921(2) 0.9427(2) 0.1221(2) 0.0348(9) Uani 1 1 d R .
C2 C 0.3489(2) 0.9909(2) 0.0534(2) 0.0372(9) Uani 1 1 d R .
H2 H 0.3242 0.9375 -0.0273 0.045 Uiso 1 1 calc R .
C3 C 0.4430(4) 1.1199(4) 0.1066(4) 0.0431(10) Uani 1 1 d . .
H3 H 0.4795 1.1538 0.0612 0.052 Uiso 1 1 calc R .
C4 C 0.4822(4) 1.1976(4) 0.2262(4) 0.0452(10) Uani 1 1 d . .
H4 H 0.5467 1.2835 0.2608 0.054 Uiso 1 1 calc R .
C5 C 0.4280(4) 1.1510(4) 0.2965(3) 0.0411(9) Uani 1 1 d . .
H5 H 0.4564 1.2044 0.3775 0.049 Uiso 1 1 calc R .
C6 C 0.3303(4) 1.0227(3) 0.2436(3) 0.0356(9) Uani 1 1 d . .
C7 C 0.2587(4) 0.9406(4) 0.2896(3) 0.0381(9) Uani 1 1 d . .
C8 C 0.2451(4) 0.9504(4) 0.4020(3) 0.0440(10) Uani 1 1 d . .
C9 C 0.1867(6) 0.8126(4) 0.3763(4) 0.0584(12) Uani 1 1 d . .
H9A H 0.1155 0.7971 0.4153 0.070 Uiso 1 1 calc R .
H9B H 0.2635 0.7941 0.4030 0.070 Uiso 1 1 calc R .
C10 C 0.1182(5) 0.7287(4) 0.2415(4) 0.0535(11) Uani 1 1 d . .
H10A H 0.1400 0.6547 0.2106 0.064 Uiso 1 1 calc R .
H10B H 0.0148 0.6995 0.2186 0.064 Uiso 1 1 calc R .
C11 C 0.1872(4) 0.8185(4) 0.2014(3) 0.0389(9) Uani 1 1 d . .
C12 C 0.1920(4) 0.8049(3) 0.0832(3) 0.0366(9) Uani 1 1 d . .
C13 C 0.2636(4) 1.0536(4) 0.5023(3) 0.0453(10) Uani 1 1 d . .
C14 C 0.2919(5) 1.1791(4) 0.5104(4) 0.0509(11) Uani 1 1 d . .
C15 C 0.1973(6) 1.1888(5) 0.4344(4) 0.0606(13) Uani 1 1 d . .
H15 H 0.1156 1.1154 0.3791 0.073 Uiso 1 1 calc R .
C16 C 0.2208(8) 1.3034(6) 0.4386(6) 0.0861(18) Uani 1 1 d . .
H16 H 0.1563 1.3075 0.3865 0.103 Uiso 1 1 calc R .
C17 C 0.3391(11) 1.4099(7) 0.5195(8) 0.109(3) Uani 1 1 d . .
H17 H 0.3566 1.4873 0.5214 0.131 Uiso 1 1 calc R .
C18 C 0.4316(9) 1.4067(6) 0.5969(6) 0.106(3) Uani 1 1 d . .
H18 H 0.5109 1.4819 0.6531 0.128 Uiso 1 1 calc R .
C19 C 0.4096(7) 1.2906(5) 0.5935(4) 0.0829(17) Uani 1 1 d . .
H19 H 0.4742 1.2886 0.6474 0.099 Uiso 1 1 calc R .
C20 C 0.2454(4) 1.0467(4) 0.6094(3) 0.0449(10) Uani 1 1 d . .
C21 C 0.1700(5) 1.1072(5) 0.6727(4) 0.0553(12) Uani 1 1 d . .
H21 H 0.1305 1.1508 0.6473 0.066 Uiso 1 1 calc R .
C22 C 0.1526(5) 1.1035(5) 0.7734(4) 0.0621(13) Uani 1 1 d . .
H22 H 0.1024 1.1450 0.8154 0.074 Uiso 1 1 calc R .
C23 C 0.2085(6) 1.0394(5) 0.8107(4) 0.0660(14) Uani 1 1 d . .
H23 H 0.1943 1.0349 0.8769 0.079 Uiso 1 1 calc R .
C24 C 0.2865(6) 0.9808(5) 0.7503(4) 0.0716(15) Uani 1 1 d . .
H24 H 0.3272 0.9387 0.7772 0.086 Uiso 1 1 calc R .
C25 C 0.3041(6) 0.9846(5) 0.6506(4) 0.0639(13) Uani 1 1 d . .
H25 H 0.3565 0.9446 0.6103 0.077 Uiso 1 1 calc R .
C26 C 0.2597(4) 0.7156(4) 0.0213(3) 0.0390(9) Uani 1 1 d . .
C27 C 0.3838(5) 0.7252(4) 0.0846(4) 0.0523(11) Uani 1 1 d . .
H27 H 0.4219 0.7832 0.1650 0.063 Uiso 1 1 calc R .
C28 C 0.4522(5) 0.6509(5) 0.0312(6) 0.0687(15) Uani 1 1 d . .
H28 H 0.5359 0.6595 0.0755 0.082 Uiso 1 1 calc R .
C29 C 0.3965(6) 0.5640(5) -0.0876(6) 0.0730(16) Uani 1 1 d . .
H29 H 0.4412 0.5125 -0.1239 0.088 Uiso 1 1 calc R .
C30 C 0.2760(6) 0.5543(5) -0.1509(5) 0.0691(14) Uani 1 1 d . .
H30 H 0.2388 0.4968 -0.2314 0.083 Uiso 1 1 calc R .
C31 C 0.2073(5) 0.6288(4) -0.0973(4) 0.0546(11) Uani 1 1 d . .
H31 H 0.1241 0.6201 -0.1425 0.066 Uiso 1 1 calc R .
C32 C 0.0393(4) 0.7615(3) 0.0073(3) 0.0368(9) Uani 1 1 d . .
C33 C -0.0679(4) 0.6440(4) -0.0215(4) 0.0495(11) Uani 1 1 d . .
H33 H -0.0455 0.5919 0.0029 0.059 Uiso 1 1 calc R .
C34 C -0.2068(5) 0.6034(4) -0.0857(4) 0.0625(13) Uani 1 1 d . .
H34 H -0.2777 0.5251 -0.1032 0.075 Uiso 1 1 calc R .
C35 C -0.2408(5) 0.6784(5) -0.1238(4) 0.0659(14) Uani 1 1 d . .
H35 H -0.3348 0.6512 -0.1670 0.079 Uiso 1 1 calc R .
C36 C -0.1367(5) 0.7929(5) -0.0983(4) 0.0576(12) Uani 1 1 d . .
H36 H -0.1597 0.8435 -0.1247 0.069 Uiso 1 1 calc R .
C37 C 0.0036(4) 0.8346(4) -0.0332(3) 0.0441(10) Uani 1 1 d . .
H37 H 0.0740 0.9127 -0.0168 0.053 Uiso 1 1 calc R .
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'
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
C38 Cl1 Cl2 118.9(8) . 2_566
C38 Cl1 C38 77.5(6) . 2_566
Cl2 Cl1 C38 46.7(4) 2_566 2_566
Cl2 C38 Cl1 146.9(8) . .
Cl2 C38 Cl1 55.6(5) . 2_566
Cl1 C38 Cl1 102.5(6) . 2_566
Cl2 C38 H38A 100.1 . .
Cl1 C38 H38A 100.0 . .
Cl1 C38 H38A 80.8 2_566 .
Cl2 C38 H38B 100.1 . .
Cl1 C38 H38B 100.0 . .
Cl1 C38 H38B 155.7 2_566 .
H38A C38 H38B 104.2 . .
C38' Cl1' C38' 51.85(14) . 2_566
C38' C38' Cl1' 69.91(17) 2_566 .
C38' C38' Cl2 115.49(17) 2_566 .
Cl1' C38' Cl2 102.3 . .
C38' C38' Cl1' 58.23(15) 2_566 2_566
Cl1' C38' Cl1' 128.15(14) . 2_566
Cl2 C38' Cl1' 99.63(14) . 2_566
C38 Cl2 C38' 32.4 . .
C38 Cl2 Cl1 77.7(6) . 2_566
C38' Cl2 Cl1 46.8(6) . 2_566
C2 C1 C6 120.47(17) . .
C2 C1 C12 127.88(16) . .
C6 C1 C12 111.6(2) . .
C3 C2 C1 119.11(19) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C4 C3 C2 120.3(3) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 121.5(4) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C4 C5 C6 118.8(4) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
C5 C6 C1 119.8(3) . .
C5 C6 C7 133.6(3) . .
C1 C6 C7 106.4(3) . .
C11 C7 C6 109.5(3) . .
C11 C7 C8 110.8(3) . .
C6 C7 C8 139.6(4) . .
C13 C8 C7 129.2(4) . .
C13 C8 C9 126.3(4) . .
C7 C8 C9 104.1(3) . .
C8 C9 C10 105.6(3) . .
C8 C9 H9A 110.6 . .
C10 C9 H9A 110.6 . .
C8 C9 H9B 110.6 . .
C10 C9 H9B 110.6 . .
H9A C9 H9B 108.7 . .
C11 C10 C9 102.2(3) . .
C11 C10 H10A 111.3 . .
C9 C10 H10A 111.3 . .
C11 C10 H10B 111.3 . .
C9 C10 H10B 111.3 . .
H10A C10 H10B 109.2 . .
C7 C11 C10 112.8(3) . .
C7 C11 C12 112.6(3) . .
C10 C11 C12 134.6(3) . .
C11 C12 C1 99.7(3) . .
C11 C12 C26 112.8(3) . .
C1 C12 C26 109.6(3) . .
C11 C12 C32 109.0(3) . .
C1 C12 C32 113.2(3) . .
C26 C12 C32 112.1(3) . .
C8 C13 C14 122.0(3) . .
C8 C13 C20 122.4(4) . .
C14 C13 C20 115.5(3) . .
C19 C14 C15 117.3(5) . .
C19 C14 C13 122.3(5) . .
C15 C14 C13 120.4(4) . .
C16 C15 C14 122.0(5) . .
C16 C15 H15 119.0 . .
C14 C15 H15 119.0 . .
C17 C16 C15 118.9(7) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C18 C17 C16 121.6(7) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 120.2(6) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C14 C19 C18 119.9(6) . .
C14 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C25 C20 C21 118.0(4) . .
C25 C20 C13 122.4(4) . .
C21 C20 C13 119.6(4) . .
C22 C21 C20 120.9(4) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C23 C22 C21 120.1(4) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.0(4) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C25 C24 C23 120.0(4) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C20 121.1(4) . .
C24 C25 H25 119.5 . .
C20 C25 H25 119.5 . .
C31 C26 C27 117.2(4) . .
C31 C26 C12 123.1(3) . .
C27 C26 C12 119.6(4) . .
C28 C27 C26 121.5(5) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C29 C28 C27 120.0(5) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C30 C29 C28 119.2(5) . .
C30 C29 H29 120.4 . .
C28 C29 H29 120.4 . .
C29 C30 C31 120.8(5) . .
C29 C30 H30 119.6 . .
C31 C30 H30 119.6 . .
C26 C31 C30 121.2(5) . .
C26 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C37 C32 C33 118.1(4) . .
C37 C32 C12 122.8(3) . .
C33 C32 C12 119.1(3) . .
C34 C33 C32 121.1(4) . .
C34 C33 H33 119.5 . .
C32 C33 H33 119.5 . .
C35 C34 C33 120.0(4) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C36 C35 C34 119.8(4) . .
C36 C35 H35 120.1 . .
C34 C35 H35 120.1 . .
C35 C36 C37 120.4(4) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C32 C37 C36 120.6(4) . .
C32 C37 H37 119.7 . .
C36 C37 H37 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C38 1.692(14) .
Cl1 Cl2 1.844(17) 2_566
Cl1 C38 2.183(17) 2_566
C38 Cl2 1.6267 .
C38 Cl1 2.183(18) 2_566
C38 H38A 0.9700 .
C38 H38B 0.9700 .
Cl1' C38' 1.6362 .
Cl1' C38' 1.807(4) 2_566
C38' C38' 1.514(4) 2_566
C38' Cl2 1.6710 .
C38' Cl1' 1.807(4) 2_566
Cl2 Cl1 1.844(17) 2_566
C1 C2 1.3886 .
C1 C6 1.399(4) .
C1 C12 1.520(4) .
C2 C3 1.388(4) .
C2 H2 0.9300 .
C3 C4 1.373(6) .
C3 H3 0.9300 .
C4 C5 1.385(5) .
C4 H4 0.9300 .
C5 C6 1.392(5) .
C5 H5 0.9300 .
C6 C7 1.470(5) .
C7 C11 1.342(5) .
C7 C8 1.469(5) .
C8 C13 1.344(5) .
C8 C9 1.515(6) .
C9 C10 1.543(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.476(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.509(5) .
C12 C26 1.529(5) .
C12 C32 1.540(5) .
C13 C14 1.479(6) .
C13 C20 1.490(5) .
C14 C19 1.379(7) .
C14 C15 1.388(6) .
C15 C16 1.373(7) .
C15 H15 0.9300 .
C16 C17 1.350(10) .
C16 H16 0.9300 .
C17 C18 1.336(11) .
C17 H17 0.9300 .
C18 C19 1.400(9) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C25 1.377(6) .
C20 C21 1.387(6) .
C21 C22 1.386(6) .
C21 H21 0.9300 .
C22 C23 1.352(6) .
C22 H22 0.9300 .
C23 C24 1.381(7) .
C23 H23 0.9300 .
C24 C25 1.375(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C31 1.375(6) .
C26 C27 1.382(6) .
C27 C28 1.378(7) .
C27 H27 0.9300 .
C28 C29 1.377(8) .
C28 H28 0.9300 .
C29 C30 1.351(8) .
C29 H29 0.9300 .
C30 C31 1.383(6) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C37 1.378(5) .
C32 C33 1.389(5) .
C33 C34 1.376(6) .
C33 H33 0.9300 .
C34 C35 1.371(7) .
C34 H34 0.9300 .
C35 C36 1.363(6) .
C35 H35 0.9300 .
C36 C37 1.388(6) .
C36 H36 0.9300 .
C37 H37 0.9300 .
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
Cl2 Cl1 C38 Cl2 -66.5(19) 2_566 .
C38 Cl1 C38 Cl2 -44.0(12) 2_566 .
Cl2 Cl1 C38 Cl1 -22.5(9) 2_566 2_566
C38 Cl1 C38 Cl1 0.0 2_566 2_566
C38' Cl1' C38' Cl2 -112.91(18) 2_566 .
C38' Cl1' C38' Cl1' 0.0 2_566 2_566
Cl1 C38 Cl2 C38' 71.0(10) . .
Cl1 C38 Cl2 C38' 15.7(7) 2_566 .
Cl1 C38 Cl2 Cl1 55.3(15) . 2_566
C38' C38' Cl2 C38 -84.86(19) 2_566 .
Cl1' C38' Cl2 C38 -11.4 . .
Cl1' C38' Cl2 C38 -144.15(14) 2_566 .
C38' C38' Cl2 Cl1 73.9(8) 2_566 2_566
Cl1' C38' Cl2 Cl1 147.4(8) . 2_566
Cl1' C38' Cl2 Cl1 14.6(8) 2_566 2_566
C6 C1 C2 C3 -0.6(2) . .
C12 C1 C2 C3 -177.8(3) . .
C1 C2 C3 C4 1.8(4) . .
C2 C3 C4 C5 -1.2(6) . .
C3 C4 C5 C6 -0.7(6) . .
C4 C5 C6 C1 1.9(5) . .
C4 C5 C6 C7 176.0(4) . .
C2 C1 C6 C5 -1.3(4) . .
C12 C1 C6 C5 176.4(3) . .
C2 C1 C6 C7 -176.80(18) . .
C12 C1 C6 C7 0.8(3) . .
C5 C6 C7 C11 -172.4(4) . .
C1 C6 C7 C11 2.3(4) . .
C5 C6 C7 C8 5.2(8) . .
C1 C6 C7 C8 179.9(4) . .
C11 C7 C8 C13 -159.2(4) . .
C6 C7 C8 C13 23.2(8) . .
C11 C7 C8 C9 14.0(5) . .
C6 C7 C8 C9 -163.6(5) . .
C13 C8 C9 C10 152.9(4) . .
C7 C8 C9 C10 -20.6(5) . .
C8 C9 C10 C11 19.6(5) . .
C6 C7 C11 C10 177.1(3) . .
C8 C7 C11 C10 -1.2(5) . .
C6 C7 C11 C12 -4.6(4) . .
C8 C7 C11 C12 177.0(3) . .
C9 C10 C11 C7 -11.8(5) . .
C9 C10 C11 C12 170.5(4) . .
C7 C11 C12 C1 4.8(4) . .
C10 C11 C12 C1 -177.5(4) . .
C7 C11 C12 C26 120.9(4) . .
C10 C11 C12 C26 -61.4(6) . .
C7 C11 C12 C32 -113.9(4) . .
C10 C11 C12 C32 63.8(5) . .
C2 C1 C12 C11 174.21(17) . .
C6 C1 C12 C11 -3.2(3) . .
C2 C1 C12 C26 55.6(3) . .
C6 C1 C12 C26 -121.8(3) . .
C2 C1 C12 C32 -70.2(3) . .
C6 C1 C12 C32 112.4(3) . .
C7 C8 C13 C14 5.1(7) . .
C9 C8 C13 C14 -166.8(4) . .
C7 C8 C13 C20 -180.0(4) . .
C9 C8 C13 C20 8.2(7) . .
C8 C13 C14 C19 -125.1(5) . .
C20 C13 C14 C19 59.6(6) . .
C8 C13 C14 C15 56.2(6) . .
C20 C13 C14 C15 -119.1(4) . .
C19 C14 C15 C16 1.9(7) . .
C13 C14 C15 C16 -179.3(4) . .
C14 C15 C16 C17 -0.4(8) . .
C15 C16 C17 C18 -1.5(10) . .
C16 C17 C18 C19 1.7(11) . .
C15 C14 C19 C18 -1.6(7) . .
C13 C14 C19 C18 179.7(5) . .
C17 C18 C19 C14 -0.1(10) . .
C8 C13 C20 C25 46.0(6) . .
C14 C13 C20 C25 -138.7(5) . .
C8 C13 C20 C21 -135.6(5) . .
C14 C13 C20 C21 39.7(6) . .
C25 C20 C21 C22 -0.9(7) . .
C13 C20 C21 C22 -179.4(4) . .
C20 C21 C22 C23 -0.5(8) . .
C21 C22 C23 C24 1.9(8) . .
C22 C23 C24 C25 -1.7(8) . .
C23 C24 C25 C20 0.2(8) . .
C21 C20 C25 C24 1.1(7) . .
C13 C20 C25 C24 179.5(5) . .
C11 C12 C26 C31 139.5(4) . .
C1 C12 C26 C31 -110.4(4) . .
C32 C12 C26 C31 16.0(5) . .
C11 C12 C26 C27 -44.0(5) . .
C1 C12 C26 C27 66.1(4) . .
C32 C12 C26 C27 -167.5(3) . .
C31 C26 C27 C28 -0.2(6) . .
C12 C26 C27 C28 -176.8(4) . .
C26 C27 C28 C29 -0.4(7) . .
C27 C28 C29 C30 1.1(7) . .
C28 C29 C30 C31 -1.1(8) . .
C27 C26 C31 C30 0.1(6) . .
C12 C26 C31 C30 176.7(4) . .
C29 C30 C31 C26 0.5(7) . .
C11 C12 C32 C37 117.8(4) . .
C1 C12 C32 C37 7.9(5) . .
C26 C12 C32 C37 -116.6(4) . .
C11 C12 C32 C33 -61.9(4) . .
C1 C12 C32 C33 -171.7(3) . .
C26 C12 C32 C33 63.8(4) . .
C37 C32 C33 C34 -1.9(6) . .
C12 C32 C33 C34 177.7(4) . .
C32 C33 C34 C35 1.0(7) . .
C33 C34 C35 C36 0.2(8) . .
C34 C35 C36 C37 -0.5(7) . .
C33 C32 C37 C36 1.6(6) . .
C12 C32 C37 C36 -178.0(4) . .
C35 C36 C37 C32 -0.5(7) . .
