#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/24/2202493.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202493
loop_
_publ_author_name
'Daqing Shi'
'Liangce Rong'
'Juxian Wang'
'Xiangshan Wang'
'Hongwen Hu'
_publ_section_title
;
 2,2'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(1-tetralone)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1376
_journal_page_last               o1378
_journal_paper_doi               10.1107/S1600536803017768
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C34 H28 Cl2 O2'
_chemical_formula_moiety         'C34 H28 Cl2 O2'
_chemical_formula_sum            'C34 H28 Cl2 O2'
_chemical_formula_weight         539.46
_chemical_melting_point          492.0(10)
_chemical_name_systematic
;
2,2'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(1-tetralone)
;
_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
_cell_angle_alpha                103.540(10)
_cell_angle_beta                 112.970(10)
_cell_angle_gamma                93.890(10)
_cell_formula_units_Z            2
_cell_length_a                   10.411(2)
_cell_length_b                   10.9750(10)
_cell_length_c                   13.296(2)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      14.96
_cell_measurement_theta_min      4.36
_cell_volume                     1338.2(4)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        'SHELXTL (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0152
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5121
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        4.30
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.273
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(XSCANS; Siemens, 1994)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.48
_refine_diff_density_max         0.160
_refine_diff_density_min         -0.204
_refine_ls_extinction_coef       0.0082(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXTL
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0415P)²+0.0134P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                3392
_reflns_number_total             4671
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6261.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '491-493 ' was changed to '492.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '491-493 ' was changed to '492.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2202493
_cod_database_fobs_code          2202493
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cl1 0.46763(6) -0.12191(5) 0.31639(5) 0.05752(17) Uani d . 1 . . Cl
Cl2 -0.32745(6) 0.16497(6) 0.24082(5) 0.0678(2) Uani d . 1 . . Cl
O1 0.26254(14) 0.47766(13) 0.03461(11) 0.0540(4) Uani d . 1 . . O
O2 0.26291(16) 0.64897(12) 0.46526(11) 0.0571(4) Uani d . 1 . . O
C1 0.40741(19) 0.01511(16) 0.28585(16) 0.0390(4) Uani d . 1 . . C
C2 0.3391(2) 0.01562(17) 0.17461(16) 0.0465(5) Uani d . 1 . . C
H2 0.3218 -0.0575 0.1158 0.056 Uiso calc R 1 . . H
C3 0.2964(2) 0.12577(17) 0.15090(15) 0.0429(5) Uani d . 1 . . C
H3 0.2492 0.1256 0.0753 0.052 Uiso calc R 1 . . H
C4 0.32177(18) 0.23713(16) 0.23681(14) 0.0357(4) Uani d . 1 . . C
C5 0.3885(2) 0.23150(17) 0.34802(15) 0.0435(5) Uani d . 1 . . C
H5 0.4043 0.3036 0.4074 0.052 Uiso calc R 1 . . H
C6 0.4324(2) 0.12182(17) 0.37330(16) 0.0440(5) Uani d . 1 . . C
H6 0.4781 0.1206 0.4486 0.053 Uiso calc R 1 . . H
C7 0.28695(18) 0.35986(16) 0.20678(14) 0.0359(4) Uani d . 1 . . C
H7 0.2124 0.3351 0.1289 0.043 Uiso calc R 1 . . H
C8 0.41883(18) 0.43099(17) 0.20320(15) 0.0389(4) Uani d . 1 . . C
H8 0.4620 0.3627 0.1739 0.047 Uiso calc R 1 . . H
C9 0.53717(19) 0.50844(19) 0.31668(16) 0.0483(5) Uani d . 1 . . C
H9A 0.5029 0.5790 0.3516 0.058 Uiso calc R 1 . . H
H9B 0.5659 0.4552 0.3677 0.058 Uiso calc R 1 . . H
C10 0.6637(2) 0.5593(2) 0.29875(18) 0.0546(5) Uani d . 1 . . C
H10A 0.7353 0.6130 0.3709 0.065 Uiso calc R 1 . . H
H10B 0.7046 0.4884 0.2725 0.065 Uiso calc R 1 . . H
C11 0.62387(19) 0.63492(17) 0.21344(16) 0.0419(5) Uani d . 1 . . C
C12 0.7213(2) 0.7338(2) 0.22015(18) 0.0537(5) Uani d . 1 . . C
H12 0.8129 0.7524 0.2774 0.064 Uiso calc R 1 . . H
C13 0.6836(2) 0.8039(2) 0.1434(2) 0.0613(6) Uani d . 1 . . C
H13 0.7494 0.8702 0.1497 0.074 Uiso calc R 1 . . H
C14 0.5484(2) 0.7766(2) 0.05667(18) 0.0574(6) Uani d . 1 . . C
H14 0.5229 0.8243 0.0048 0.069 Uiso calc R 1 . . H
C15 0.4524(2) 0.67827(18) 0.04805(16) 0.0472(5) Uani d . 1 . . C
H15 0.3619 0.6586 -0.0110 0.057 Uiso calc R 1 . . H
C16 0.48817(18) 0.60779(16) 0.12610(15) 0.0372(4) Uani d . 1 . . C
C17 0.37838(19) 0.50442(17) 0.11436(15) 0.0389(4) Uani d . 1 . . C
C18 -0.16661(19) 0.24110(18) 0.25482(17) 0.0430(5) Uani d . 1 . . C
C19 -0.0730(2) 0.32180(18) 0.35748(17) 0.0472(5) Uani d . 1 . . C
H19 -0.0943 0.3361 0.4205 0.057 Uiso calc R 1 . . H
C20 0.0544(2) 0.38200(17) 0.36625(16) 0.0418(5) Uani d . 1 . . C
H20 0.1183 0.4360 0.4363 0.050 Uiso calc R 1 . . H
C21 0.08899(18) 0.36399(16) 0.27367(14) 0.0351(4) Uani d . 1 . . C
C22 -0.00811(19) 0.27985(18) 0.17199(15) 0.0456(5) Uani d . 1 . . C
H22 0.0127 0.2640 0.1087 0.055 Uiso calc R 1 . . H
C23 -0.1347(2) 0.21895(19) 0.16212(16) 0.0485(5) Uani d . 1 . . C
H23 -0.1980 0.1631 0.0929 0.058 Uiso calc R 1 . . H
C24 0.22459(18) 0.43878(16) 0.28373(14) 0.0349(4) Uani d . 1 . . C
H24 0.2945 0.4546 0.3626 0.042 Uiso calc R 1 . . H
C25 0.19947(18) 0.57050(16) 0.26492(14) 0.0361(4) Uani d . 1 . . C
H25 0.2775 0.6023 0.2489 0.043 Uiso calc R 1 . . H
C26 0.06263(19) 0.57157(17) 0.16419(15) 0.0437(5) Uani d . 1 . . C
H26A 0.0537 0.5081 0.0962 0.052 Uiso calc R 1 . . H
H26B -0.0184 0.5505 0.1798 0.052 Uiso calc R 1 . . H
C27 0.0651(2) 0.70260(18) 0.14470(16) 0.0502(5) Uani d . 1 . . C
H27A 0.1381 0.7179 0.1187 0.060 Uiso calc R 1 . . H
H27B -0.0253 0.7045 0.0852 0.060 Uiso calc R 1 . . H
C28 0.09294(18) 0.80685(17) 0.25047(16) 0.0416(5) Uani d . 1 . . C
C29 0.0560(2) 0.9253(2) 0.2449(2) 0.0553(6) Uani d . 1 . . C
H29 0.0134 0.9403 0.1742 0.066 Uiso calc R 1 . . H
C30 0.0809(2) 1.0201(2) 0.3412(2) 0.0661(7) Uani d . 1 . . C
H30 0.0561 1.0988 0.3353 0.079 Uiso calc R 1 . . H
C31 0.1425(2) 1.0000(2) 0.4469(2) 0.0658(6) Uani d . 1 . . C
H31 0.1578 1.0643 0.5121 0.079 Uiso calc R 1 . . H
C32 0.1811(2) 0.88434(19) 0.45544(18) 0.0529(5) Uani d . 1 . . C
H32 0.2233 0.8707 0.5268 0.064 Uiso calc R 1 . . H
C33 0.15758(19) 0.78711(16) 0.35800(16) 0.0396(4) Uani d . 1 . . C
C34 0.20949(18) 0.66681(17) 0.37178(15) 0.0383(4) Uani d . 1 . . C
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'
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_publ_flag
C6 C1 C2 120.94(17) ?
C6 C1 Cl1 119.56(15) ?
C2 C1 Cl1 119.48(14) ?
C1 C2 C3 119.24(17) ?
C1 C2 H2 120.4 ?
C3 C2 H2 120.4 ?
C2 C3 C4 121.87(17) ?
C2 C3 H3 119.1 ?
C4 C3 H3 119.1 ?
C5 C4 C3 116.90(17) ?
C5 C4 C7 122.94(15) ?
C3 C4 C7 119.99(16) ?
C6 C5 C4 121.94(17) ?
C6 C5 H5 119.0 ?
C4 C5 H5 119.0 ?
C1 C6 C5 119.07(17) ?
C1 C6 H6 120.5 ?
C5 C6 H6 120.5 ?
C4 C7 C24 111.85(14) yes
C4 C7 C8 108.79(14) yes
C24 C7 C8 115.78(14) yes
C4 C7 H7 106.6 ?
C24 C7 H7 106.6 ?
C8 C7 H7 106.6 ?
C9 C8 C17 112.59(15) ?
C9 C8 C7 117.29(15) ?
C17 C8 C7 112.40(14) ?
C9 C8 H8 104.3 ?
C17 C8 H8 104.3 ?
C7 C8 H8 104.3 ?
C10 C9 C8 110.31(16) ?
C10 C9 H9A 109.6 ?
C8 C9 H9A 109.6 ?
C10 C9 H9B 109.6 ?
C8 C9 H9B 109.6 ?
H9A C9 H9B 108.1 ?
C11 C10 C9 112.25(15) ?
C11 C10 H10A 109.2 ?
C9 C10 H10A 109.2 ?
C11 C10 H10B 109.2 ?
C9 C10 H10B 109.2 ?
H10A C10 H10B 107.9 ?
C16 C11 C12 118.46(18) ?
C16 C11 C10 120.44(17) ?
C12 C11 C10 121.10(17) ?
C13 C12 C11 120.9(2) ?
C13 C12 H12 119.6 ?
C11 C12 H12 119.6 ?
C12 C13 C14 120.5(2) ?
C12 C13 H13 119.8 ?
C14 C13 H13 119.8 ?
C15 C14 C13 119.2(2) ?
C15 C14 H14 120.4 ?
C13 C14 H14 120.4 ?
C14 C15 C16 120.98(19) ?
C14 C15 H15 119.5 ?
C16 C15 H15 119.5 ?
C15 C16 C11 119.99(17) ?
C15 C16 C17 118.63(17) ?
C11 C16 C17 121.38(16) ?
O1 C17 C16 120.68(17) yes
O1 C17 C8 121.60(17) yes
C16 C17 C8 117.68(15) yes
C19 C18 C23 120.48(18) ?
C19 C18 Cl2 120.28(15) ?
C23 C18 Cl2 119.24(16) ?
C18 C19 C20 119.16(18) ?
C18 C19 H19 120.4 ?
C20 C19 H19 120.4 ?
C21 C20 C19 121.97(18) ?
C21 C20 H20 119.0 ?
C19 C20 H20 119.0 ?
C22 C21 C20 116.78(17) ?
C22 C21 C24 122.41(16) ?
C20 C21 C24 120.75(16) ?
C23 C22 C21 121.88(17) ?
C23 C22 H22 119.1 ?
C21 C22 H22 119.1 ?
C18 C23 C22 119.71(18) ?
C18 C23 H23 120.1 ?
C22 C23 H23 120.1 ?
C21 C24 C25 110.19(14) yes
C21 C24 C7 111.58(14) yes
C25 C24 C7 114.44(14) yes
C21 C24 H24 106.7 ?
C25 C24 H24 106.7 ?
C7 C24 H24 106.7 ?
C34 C25 C26 109.18(14) ?
C34 C25 C24 112.25(14) ?
C26 C25 C24 116.14(14) ?
C34 C25 H25 106.2 ?
C26 C25 H25 106.2 ?
C24 C25 H25 106.2 ?
C27 C26 C25 109.78(15) ?
C27 C26 H26A 109.7 ?
C25 C26 H26A 109.7 ?
C27 C26 H26B 109.7 ?
C25 C26 H26B 109.7 ?
H26A C26 H26B 108.2 ?
C28 C27 C26 112.39(15) ?
C28 C27 H27A 109.1 ?
C26 C27 H27A 109.1 ?
C28 C27 H27B 109.1 ?
C26 C27 H27B 109.1 ?
H27A C27 H27B 107.9 ?
C29 C28 C33 118.08(18) ?
C29 C28 C27 121.39(18) ?
C33 C28 C27 120.52(16) ?
C30 C29 C28 121.4(2) ?
C30 C29 H29 119.3 ?
C28 C29 H29 119.3 ?
C29 C30 C31 120.5(2) ?
C29 C30 H30 119.8 ?
C31 C30 H30 119.8 ?
C32 C31 C30 119.6(2) ?
C32 C31 H31 120.2 ?
C30 C31 H31 120.2 ?
C31 C32 C33 120.5(2) ?
C31 C32 H32 119.7 ?
C33 C32 H32 119.7 ?
C32 C33 C28 119.88(17) ?
C32 C33 C34 118.64(17) ?
C28 C33 C34 121.40(16) ?
O2 C34 C33 121.16(16) yes
O2 C34 C25 121.86(16) yes
C33 C34 C25 116.91(15) yes
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
Cl1 C1 . 1.7420(18) yes
Cl2 C18 . 1.7409(19) yes
O1 C17 . 1.214(2) yes
O2 C34 . 1.217(2) yes
C1 C6 . 1.370(2) ?
C1 C2 . 1.370(2) ?
C2 C3 . 1.379(2) ?
C2 H2 . 0.93 ?
C3 C4 . 1.391(2) ?
C3 H3 . 0.93 ?
C4 C5 . 1.386(2) ?
C4 C7 . 1.520(2) yes
C5 C6 . 1.384(2) ?
C5 H5 . 0.93 ?
C6 H6 . 0.93 ?
C7 C24 . 1.549(2) yes
C7 C8 . 1.555(2) yes
C7 H7 . 0.98 ?
C8 C9 . 1.524(2) ?
C8 C17 . 1.525(2) ?
C8 H8 . 0.98 ?
C9 C10 . 1.521(3) ?
C9 H9A . 0.97 ?
C9 H9B . 0.97 ?
C10 C11 . 1.506(3) ?
C10 H10A . 0.97 ?
C10 H10B . 0.97 ?
C11 C16 . 1.391(2) ?
C11 C12 . 1.396(3) ?
C12 C13 . 1.372(3) ?
C12 H12 . 0.93 ?
C13 C14 . 1.384(3) ?
C13 H13 . 0.93 ?
C14 C15 . 1.372(3) ?
C14 H14 . 0.93 ?
C15 C16 . 1.388(2) ?
C15 H15 . 0.93 ?
C16 C17 . 1.490(2) ?
C18 C19 . 1.370(3) ?
C18 C23 . 1.371(3) ?
C19 C20 . 1.390(3) ?
C19 H19 . 0.93 ?
C20 C21 . 1.388(2) ?
C20 H20 . 0.93 ?
C21 C22 . 1.387(2) ?
C21 C24 . 1.526(2) yes
C22 C23 . 1.380(2) ?
C22 H22 . 0.93 ?
C23 H23 . 0.93 ?
C24 C25 . 1.546(2) yes
C24 H24 . 0.98 ?
C25 C34 . 1.521(2) ?
C25 C26 . 1.531(2) ?
C25 H25 . 0.98 ?
C26 C27 . 1.520(2) ?
C26 H26A . 0.97 ?
C26 H26B . 0.97 ?
C27 C28 . 1.501(3) ?
C27 H27A . 0.97 ?
C27 H27B . 0.97 ?
C28 C29 . 1.391(3) ?
C28 C33 . 1.399(2) ?
C29 C30 . 1.368(3) ?
C29 H29 . 0.93 ?
C30 C31 . 1.377(3) ?
C30 H30 . 0.93 ?
C31 C32 . 1.373(3) ?
C31 H31 . 0.93 ?
C32 C33 . 1.395(3) ?
C32 H32 . 0.93 ?
C33 C34 . 1.484(2) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C7 H7 O1 . 0.98 2.37 2.820(2) 107
C20 H20 O2 . 0.93 2.55 3.183(3) 125
C24 H24 O2 . 0.98 2.37 2.797(2) 106
C30 H30 CgP 1_565 0.93 2.72 3.626(3) 166
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_publ_flag
C6 C1 C2 C3 0.6(3) ?
Cl1 C1 C2 C3 -177.59(14) ?
C1 C2 C3 C4 0.6(3) ?
C2 C3 C4 C5 -1.9(3) ?
C2 C3 C4 C7 173.47(17) ?
C3 C4 C5 C6 2.1(3) ?
C7 C4 C5 C6 -173.18(16) ?
C2 C1 C6 C5 -0.5(3) ?
Cl1 C1 C6 C5 177.73(14) ?
C4 C5 C6 C1 -0.9(3) ?
C5 C4 C7 C24 -43.6(2) ?
C3 C4 C7 C24 141.35(16) ?
C5 C4 C7 C8 85.6(2) ?
C3 C4 C7 C8 -89.49(19) ?
C4 C7 C8 C9 -80.28(19) ?
C24 C7 C8 C9 46.7(2) ?
C4 C7 C8 C17 146.85(15) ?
C24 C7 C8 C17 -86.21(18) ?
C17 C8 C9 C10 -53.4(2) ?
C7 C8 C9 C10 173.82(15) ?
C8 C9 C10 C11 55.0(2) ?
C9 C10 C11 C16 -29.0(3) ?
C9 C10 C11 C12 150.73(18) ?
C16 C11 C12 C13 0.9(3) ?
C10 C11 C12 C13 -178.8(2) ?
C11 C12 C13 C14 -0.9(3) ?
C12 C13 C14 C15 -0.2(3) ?
C13 C14 C15 C16 1.2(3) ?
C14 C15 C16 C11 -1.2(3) ?
C14 C15 C16 C17 178.37(17) ?
C12 C11 C16 C15 0.1(3) ?
C10 C11 C16 C15 179.85(17) ?
C12 C11 C16 C17 -179.43(16) ?
C10 C11 C16 C17 0.3(3) ?
C15 C16 C17 O1 4.0(3) ?
C11 C16 C17 O1 -176.42(17) ?
C15 C16 C17 C8 -178.18(16) ?
C11 C16 C17 C8 1.4(2) ?
C9 C8 C17 O1 -156.51(17) ?
C7 C8 C17 O1 -21.4(2) ?
C9 C8 C17 C16 25.7(2) ?
C7 C8 C17 C16 160.87(14) ?
C23 C18 C19 C20 0.6(3) ?
Cl2 C18 C19 C20 -179.62(14) ?
C18 C19 C20 C21 0.8(3) ?
C19 C20 C21 C22 -1.8(3) ?
C19 C20 C21 C24 175.49(16) ?
C20 C21 C22 C23 1.5(3) ?
C24 C21 C22 C23 -175.74(17) ?
C19 C18 C23 C22 -0.9(3) ?
Cl2 C18 C23 C22 179.32(14) ?
C21 C22 C23 C18 -0.2(3) ?
C22 C21 C24 C25 92.90(19) ?
C20 C21 C24 C25 -84.20(19) ?
C22 C21 C24 C7 -35.4(2) ?
C20 C21 C24 C7 147.53(16) ?
C4 C7 C24 C21 -59.28(18) yes
C8 C7 C24 C21 175.33(13) yes
C4 C7 C24 C25 174.74(14) yes
C8 C7 C24 C25 49.4(2) yes
C21 C24 C25 C34 81.45(17) ?
C7 C24 C25 C34 -151.86(15) ?
C21 C24 C25 C26 -45.1(2) ?
C7 C24 C25 C26 81.5(2) ?
C34 C25 C26 C27 61.5(2) ?
C24 C25 C26 C27 -170.42(15) ?
C25 C26 C27 C28 -53.8(2) ?
C26 C27 C28 C29 -159.23(17) ?
C26 C27 C28 C33 20.9(3) ?
C33 C28 C29 C30 -0.3(3) ?
C27 C28 C29 C30 179.80(19) ?
C28 C29 C30 C31 -0.7(3) ?
C29 C30 C31 C32 1.1(3) ?
C30 C31 C32 C33 -0.4(3) ?
C31 C32 C33 C28 -0.6(3) ?
C31 C32 C33 C34 176.08(18) ?
C29 C28 C33 C32 1.0(3) ?
C27 C28 C33 C32 -179.17(17) ?
C29 C28 C33 C34 -175.60(16) ?
C27 C28 C33 C34 4.3(3) ?
C32 C33 C34 O2 5.0(3) ?
C28 C33 C34 O2 -178.41(17) ?
C32 C33 C34 C25 -172.04(17) ?
C28 C33 C34 C25 4.6(2) ?
C26 C25 C34 O2 145.95(18) ?
C24 C25 C34 O2 15.7(2) ?
C26 C25 C34 C33 -37.1(2) ?
C24 C25 C34 C33 -167.31(15) ?
