#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/32/7213257.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7213257
loop_
_publ_author_name
'Ohkita, Masakazu'
'Sano, Kieko'
'Dohba, Sotoyuki'
'Fujita, Yuko'
'Suzuki, Takanori'
'Tsuji, Takashi'
_publ_section_title
;
 A 2,3,5,6-tetramethylenebicyclo[2.2.0]hexane derivative: a novel bisdiene
 molecule that produces a Dewar benzene skeleton upon two successive
 Diels--Alder reactions with dienophiles
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              1971
_journal_paper_doi               10.1039/b000569j
_journal_year                    2000
_chemical_formula_moiety         'C14 H18 Cl4 O4 '
_chemical_formula_sum            'C14 H18 Cl4 O4'
_chemical_formula_weight         392.11
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Tue Sep  7 19:59:39 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.857(3)
_cell_length_b                   17.205(2)
_cell_length_c                   13.287(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      10.1
_cell_volume                     3625.0(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      -0.01922
_diffrn_orient_matrix_UB_12      0.05211
_diffrn_orient_matrix_UB_13      0.02418
_diffrn_orient_matrix_UB_21      0.04464
_diffrn_orient_matrix_UB_22      -0.00072
_diffrn_orient_matrix_UB_23      0.05315
_diffrn_orient_matrix_UB_31      0.04018
_diffrn_orient_matrix_UB_32      0.02573
_diffrn_orient_matrix_UB_33      -0.04749
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.189
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4455
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        -7.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            --------------------
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ----------
_exptl_crystal_F_000             1616.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1102
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.0220
_refine_ls_shift/su_mean         0.0040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00123|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0547
_reflns_number_gt                1102
_reflns_number_total             4455
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b000569jsup1.cif
_cod_data_source_block           tsujimo04
_cod_depositor_comments
;
The following automatic conversions were performed:
'_reflns_observed_expression' tag replaced with
'_reflns_threshold_expression' tag as specified in the replacement
file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_site_calc_flags'
tag replaced with '_atom_site_calc_flag' tag as specified in the
replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_cell_volume        3624(1)
_cod_original_sg_symbol_H-M      'P b c a      '
_cod_original_formula_sum        'C14 H18 Cl4 O4 '
_cod_database_code               7213257
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,y,1/2-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_calc_flag
Cl1 Cl 0.5833(1) 0.6041(1) 0.6929(1) 0.0738(8) Uani 1.00 d
Cl2 Cl 0.5645(1) 0.3199(1) 0.8399(2) 0.0812(8) Uani 1.00 d
Cl3 Cl 0.9182(1) 0.3445(2) 0.8880(2) 0.0972(9) Uani 1.00 d
Cl4 Cl 0.8805(2) 0.6473(1) 0.9449(2) 0.0953(9) Uani 1.00 d
O1 O 0.7306(3) 0.5639(3) 1.1277(4) 0.073(2) Uani 1.00 d
O2 O 0.5699(3) 0.4467(3) 1.0685(4) 0.072(2) Uani 1.00 d
O3 O 0.6684(3) 0.6509(3) 1.0268(3) 0.058(2) Uani 1.00 d
O4 O 0.6615(3) 0.3487(3) 1.0755(4) 0.064(2) Uani 1.00 d
C1 C 0.7099(4) 0.5350(4) 0.9546(5) 0.037(2) Uani 1.00 d
C2 C 0.6457(4) 0.5474(4) 0.8690(5) 0.044(2) Uani 1.00 d
C3 C 0.6423(4) 0.4592(4) 0.8528(5) 0.044(2) Uani 1.00 d
C4 C 0.6872(4) 0.4464(4) 0.9561(5) 0.037(2) Uani 1.00 d
C5 C 0.7805(4) 0.4248(4) 0.9521(5) 0.046(2) Uani 1.00 d
C6 C 0.8011(5) 0.5088(4) 0.9208(5) 0.052(3) Uani 1.00 d
C7 C 0.6674(5) 0.5998(5) 0.7827(6) 0.065(3) Uani 1.00 d
C8 C 0.5562(5) 0.4235(4) 0.8359(6) 0.058(3) Uani 1.00 d
C9 C 0.8062(5) 0.3573(5) 0.8862(6) 0.064(3) Uani 1.00 d
C10 C 0.8762(5) 0.5462(5) 0.9715(6) 0.072(3) Uani 1.00 d
C11 C 0.7050(5) 0.5834(4) 1.0462(7) 0.049(3) Uani 1.00 d
C12 C 0.6319(5) 0.4155(4) 1.0383(5) 0.044(3) Uani 1.00 d
C13 C 0.6631(6) 0.7054(5) 1.1091(7) 0.086(3) Uani 1.00 d
C14 C 0.6085(7) 0.3112(5) 1.1502(7) 0.098(4) Uani 1.00 d
H1 H 0.5945 0.5642 0.8979 0.0541 Uiso 1.00 calc
H2 H 0.6786 0.4440 0.7992 0.0543 Uiso 1.00 calc
H3 H 0.8005 0.4162 1.0193 0.0548 Uiso 1.00 calc
H4 H 0.8073 0.5127 0.8499 0.0639 Uiso 1.00 calc
H5 H 0.7162 0.5817 0.7500 0.0753 Uiso 1.00 calc
H6 H 0.6767 0.6512 0.8075 0.0753 Uiso 1.00 calc
H7 H 0.5350 0.4381 0.7717 0.0703 Uiso 1.00 calc
H8 H 0.5184 0.4398 0.8867 0.0703 Uiso 1.00 calc
H9 H 0.7895 0.3666 0.8207 0.0774 Uiso 1.00 calc
H10 H 0.7819 0.3112 0.9124 0.0774 Uiso 1.00 calc
H11 H 0.9267 0.5238 0.9465 0.0891 Uiso 1.00 calc
H12 H 0.8726 0.5400 1.0414 0.0891 Uiso 1.00 calc
H13 H 0.7172 0.7186 1.1299 0.1020 Uiso 1.00 calc
H14 H 0.6351 0.7519 1.0831 0.1020 Uiso 1.00 calc
H15 H 0.6303 0.6844 1.1603 0.1020 Uiso 1.00 calc
H16 H 0.5991 0.3447 1.2036 0.1158 Uiso 1.00 calc
H17 H 0.5544 0.3004 1.1170 0.1158 Uiso 1.00 calc
H18 H 0.6324 0.2641 1.1695 0.1158 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 5 -3
-1 5 -3
0 10 -2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 O3 C13 116.6(6) 1_555 1_555 1_555 yes
C12 O4 C14 115.5(6) 1_555 1_555 1_555 yes
C2 C1 C4 89.6(5) 1_555 1_555 1_555 yes
C2 C1 C6 115.8(5) 1_555 1_555 1_555 yes
C2 C1 C11 119.6(6) 1_555 1_555 1_555 yes
C4 C1 C6 86.4(5) 1_555 1_555 1_555 yes
C4 C1 C11 121.7(6) 1_555 1_555 1_555 yes
C6 C1 C11 116.3(6) 1_555 1_555 1_555 yes
C1 C2 C3 89.4(5) 1_555 1_555 1_555 yes
C1 C2 C7 119.7(6) 1_555 1_555 1_555 yes
C1 C2 H1 108.2(6) 1_555 1_555 1_555 no
C3 C2 C7 119.7(6) 1_555 1_555 1_555 yes
C3 C2 H1 109.3(6) 1_555 1_555 1_555 no
C7 C2 H1 108.9(6) 1_555 1_555 1_555 no
C2 C3 C4 90.0(5) 1_555 1_555 1_555 yes
C2 C3 C8 117.0(6) 1_555 1_555 1_555 yes
C2 C3 H2 110.8(6) 1_555 1_555 1_555 no
C4 C3 C8 119.0(6) 1_555 1_555 1_555 yes
C4 C3 H2 110.0(6) 1_555 1_555 1_555 no
C8 C3 H2 108.8(6) 1_555 1_555 1_555 no
C1 C4 C3 87.5(5) 1_555 1_555 1_555 yes
C1 C4 C5 90.8(5) 1_555 1_555 1_555 yes
C1 C4 C12 119.3(6) 1_555 1_555 1_555 yes
C3 C4 C5 116.4(5) 1_555 1_555 1_555 yes
C3 C4 C12 115.1(6) 1_555 1_555 1_555 yes
C5 C4 C12 120.4(6) 1_555 1_555 1_555 yes
C4 C5 C6 89.3(5) 1_555 1_555 1_555 yes
C4 C5 C9 118.0(6) 1_555 1_555 1_555 yes
C4 C5 H3 109.0(6) 1_555 1_555 1_555 no
C6 C5 C9 120.5(6) 1_555 1_555 1_555 yes
C6 C5 H3 109.0(7) 1_555 1_555 1_555 no
C9 C5 H3 109.4(6) 1_555 1_555 1_555 no
C1 C6 C5 89.8(5) 1_555 1_555 1_555 yes
C1 C6 C10 118.2(6) 1_555 1_555 1_555 yes
C1 C6 H4 110.8(6) 1_555 1_555 1_555 no
C5 C6 C10 116.5(6) 1_555 1_555 1_555 yes
C5 C6 H4 110.9(7) 1_555 1_555 1_555 no
C10 C6 H4 109.3(7) 1_555 1_555 1_555 no
CL1 C7 C2 111.3(5) 1_555 1_555 1_555 yes
CL1 C7 H5 108.6(6) 1_555 1_555 1_555 no
CL1 C7 H6 107.8(6) 1_555 1_555 1_555 no
C2 C7 H5 110.1(7) 1_555 1_555 1_555 no
C2 C7 H6 109.2(7) 1_555 1_555 1_555 no
H5 C7 H6 109.9(8) 1_555 1_555 1_555 no
CL2 C8 C3 109.5(5) 1_555 1_555 1_555 yes
CL2 C8 H7 108.4(6) 1_555 1_555 1_555 no
CL2 C8 H8 108.6(6) 1_555 1_555 1_555 no
C3 C8 H7 110.3(7) 1_555 1_555 1_555 no
C3 C8 H8 110.3(6) 1_555 1_555 1_555 no
H7 C8 H8 109.8(7) 1_555 1_555 1_555 no
CL3 C9 C5 110.7(5) 1_555 1_555 1_555 yes
CL3 C9 H9 108.5(6) 1_555 1_555 1_555 no
CL3 C9 H10 107.2(6) 1_555 1_555 1_555 no
C5 C9 H9 109.6(7) 1_555 1_555 1_555 no
C5 C9 H10 108.7(7) 1_555 1_555 1_555 no
H9 C9 H10 112.0(8) 1_555 1_555 1_555 no
CL4 C10 C6 111.0(6) 1_555 1_555 1_555 yes
CL4 C10 H11 107.2(6) 1_555 1_555 1_555 no
CL4 C10 H12 108.1(7) 1_555 1_555 1_555 no
C6 C10 H11 109.7(8) 1_555 1_555 1_555 no
C6 C10 H12 110.2(7) 1_555 1_555 1_555 no
H11 C10 H12 110.7(8) 1_555 1_555 1_555 no
O1 C11 O3 124.6(7) 1_555 1_555 1_555 yes
O1 C11 C1 124.4(7) 1_555 1_555 1_555 yes
O3 C11 C1 111.0(7) 1_555 1_555 1_555 yes
O2 C12 O4 123.7(7) 1_555 1_555 1_555 yes
O2 C12 C4 124.6(7) 1_555 1_555 1_555 yes
O4 C12 C4 111.7(6) 1_555 1_555 1_555 yes
O3 C13 H13 109.4(8) 1_555 1_555 1_555 no
O3 C13 H14 106.9(8) 1_555 1_555 1_555 no
O3 C13 H15 109.6(7) 1_555 1_555 1_555 no
H13 C13 H14 108.9(9) 1_555 1_555 1_555 no
H13 C13 H15 113.2(9) 1_555 1_555 1_555 no
H14 C13 H15 108.8(9) 1_555 1_555 1_555 no
O4 C14 H16 110.0(8) 1_555 1_555 1_555 no
O4 C14 H17 106.4(8) 1_555 1_555 1_555 no
O4 C14 H18 109.8(8) 1_555 1_555 1_555 no
H16 C14 H17 108.7(9) 1_555 1_555 1_555 no
H16 C14 H18 113.4(10) 1_555 1_555 1_555 no
H17 C14 H18 108.3(9) 1_555 1_555 1_555 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
CL1 C7 1.792(8) 1_555 1_555 yes
CL2 C8 1.789(7) 1_555 1_555 yes
CL3 C9 1.790(8) 1_555 1_555 yes
CL4 C10 1.777(9) 1_555 1_555 yes
O1 C11 1.205(8) 1_555 1_555 yes
O2 C12 1.190(8) 1_555 1_555 yes
O3 C11 1.324(8) 1_555 1_555 yes
O3 C13 1.442(9) 1_555 1_555 yes
O4 C12 1.337(8) 1_555 1_555 yes
O4 C14 1.452(9) 1_555 1_555 yes
C1 C2 1.541(9) 1_555 1_555 yes
C1 C4 1.566(9) 1_555 1_555 yes
C1 C6 1.581(9) 1_555 1_555 yes
C1 C11 1.477(10) 1_555 1_555 yes
C2 C3 1.534(10) 1_555 1_555 yes
C2 C7 1.500(9) 1_555 1_555 yes
C3 C4 1.563(9) 1_555 1_555 yes
C3 C8 1.512(9) 1_555 1_555 yes
C4 C5 1.526(9) 1_555 1_555 yes
C4 C12 1.498(9) 1_555 1_555 yes
C5 C6 1.539(9) 1_555 1_555 yes
C5 C9 1.510(9) 1_555 1_555 yes
C6 C10 1.511(10) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
CL2 CL4 3.395(3) 1_555 6_645
CL2 C14 3.453(9) 1_555 7_554
O2 C8 3.256(9) 1_555 5_667
O2 O2 3.40(1) 1_555 5_667
O2 C2 3.519(9) 1_555 5_667
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
CL1 C7 C2 C1 179.5(5) 1_555 1_555 1_555 1_555 yes
CL1 C7 C2 C3 71.3(8) 1_555 1_555 1_555 1_555 yes
CL2 C8 C3 C2 -170.3(5) 1_555 1_555 1_555 1_555 yes
CL2 C8 C3 C4 -64.0(7) 1_555 1_555 1_555 1_555 yes
CL3 C9 C5 C4 177.5(5) 1_555 1_555 1_555 1_555 yes
CL3 C9 C5 C6 70.3(7) 1_555 1_555 1_555 1_555 yes
CL4 C10 C6 C1 -64.3(7) 1_555 1_555 1_555 1_555 yes
CL4 C10 C6 C5 -169.5(5) 1_555 1_555 1_555 1_555 yes
O1 C11 O3 C13 2(1) 1_555 1_555 1_555 1_555 yes
O1 C11 C1 C2 154.2(7) 1_555 1_555 1_555 1_555 yes
O1 C11 C1 C4 44(1) 1_555 1_555 1_555 1_555 yes
O1 C11 C1 C6 -58.7(10) 1_555 1_555 1_555 1_555 yes
O2 C12 O4 C14 5(1) 1_555 1_555 1_555 1_555 yes
O2 C12 C4 C1 43(1) 1_555 1_555 1_555 1_555 yes
O2 C12 C4 C3 -58.8(9) 1_555 1_555 1_555 1_555 yes
O2 C12 C4 C5 153.5(7) 1_555 1_555 1_555 1_555 yes
O3 C11 C1 C2 -25.6(8) 1_555 1_555 1_555 1_555 yes
O3 C11 C1 C4 -135.6(6) 1_555 1_555 1_555 1_555 yes
O3 C11 C1 C6 121.5(6) 1_555 1_555 1_555 1_555 yes
O4 C12 C4 C1 -135.7(6) 1_555 1_555 1_555 1_555 yes
O4 C12 C4 C3 122.3(6) 1_555 1_555 1_555 1_555 yes
O4 C12 C4 C5 -25.4(9) 1_555 1_555 1_555 1_555 yes
C1 C2 C3 C4 14.3(5) 1_555 1_555 1_555 1_555 yes
C1 C2 C3 C8 137.2(6) 1_555 1_555 1_555 1_555 yes
C1 C4 C3 C2 -14.1(5) 1_555 1_555 1_555 1_555 yes
C1 C4 C3 C8 -135.3(6) 1_555 1_555 1_555 1_555 yes
C1 C4 C5 C6 -14.9(5) 1_555 1_555 1_555 1_555 yes
C1 C4 C5 C9 -139.6(6) 1_555 1_555 1_555 1_555 yes
C1 C6 C5 C4 14.8(5) 1_555 1_555 1_555 1_555 yes
C1 C6 C5 C9 137.3(6) 1_555 1_555 1_555 1_555 yes
C1 C11 O3 C13 -177.2(6) 1_555 1_555 1_555 1_555 yes
C2 C1 C4 C3 14.0(5) 1_555 1_555 1_555 1_555 yes
C2 C1 C4 C5 130.4(5) 1_555 1_555 1_555 1_555 yes
C2 C1 C4 C12 -103.5(6) 1_555 1_555 1_555 1_555 yes
C2 C1 C6 C5 -102.2(6) 1_555 1_555 1_555 1_555 yes
C2 C1 C6 C10 137.5(6) 1_555 1_555 1_555 1_555 yes
C2 C3 C4 C5 -103.7(6) 1_555 1_555 1_555 1_555 yes
C2 C3 C4 C12 107.3(6) 1_555 1_555 1_555 1_555 yes
C3 C2 C1 C4 -14.3(5) 1_555 1_555 1_555 1_555 yes
C3 C2 C1 C6 71.5(7) 1_555 1_555 1_555 1_555 yes
C3 C2 C1 C11 -141.2(6) 1_555 1_555 1_555 1_555 yes
C3 C4 C1 C6 -101.9(4) 1_555 1_555 1_555 1_555 yes
C3 C4 C1 C11 139.2(6) 1_555 1_555 1_555 1_555 yes
C3 C4 C5 C6 72.6(6) 1_555 1_555 1_555 1_555 yes
C3 C4 C5 C9 -52.0(9) 1_555 1_555 1_555 1_555 yes
C4 C1 C2 C7 -138.6(6) 1_555 1_555 1_555 1_555 yes
C4 C1 C6 C5 -14.4(5) 1_555 1_555 1_555 1_555 yes
C4 C1 C6 C10 -134.8(7) 1_555 1_555 1_555 1_555 yes
C4 C3 C2 C7 138.7(6) 1_555 1_555 1_555 1_555 yes
C4 C5 C6 C10 136.6(6) 1_555 1_555 1_555 1_555 yes
C4 C12 O4 C14 -175.4(6) 1_555 1_555 1_555 1_555 yes
C5 C4 C1 C6 14.6(5) 1_555 1_555 1_555 1_555 yes
C5 C4 C1 C11 -104.4(7) 1_555 1_555 1_555 1_555 yes
C5 C4 C3 C8 135.1(6) 1_555 1_555 1_555 1_555 yes
C5 C6 C1 C11 109.4(6) 1_555 1_555 1_555 1_555 yes
C6 C1 C2 C7 -52.9(9) 1_555 1_555 1_555 1_555 yes
C6 C1 C4 C12 140.6(6) 1_555 1_555 1_555 1_555 yes
C6 C5 C4 C12 -140.1(6) 1_555 1_555 1_555 1_555 yes
C7 C2 C1 C11 94.4(8) 1_555 1_555 1_555 1_555 yes
C7 C2 C3 C8 -98.4(8) 1_555 1_555 1_555 1_555 yes
C8 C3 C4 C12 -14.0(9) 1_555 1_555 1_555 1_555 yes
C9 C5 C4 C12 95.3(8) 1_555 1_555 1_555 1_555 yes
C9 C5 C6 C10 -100.9(8) 1_555 1_555 1_555 1_555 yes
C10 C6 C1 C11 -10.9(9) 1_555 1_555 1_555 1_555 yes
C11 C1 C4 C12 21.7(9) 1_555 1_555 1_555 1_555 yes
