#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/36/4303662.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_4303662
loop_
_publ_author_name
'Xiaodi Kou'
'Xiaoyu Wang'
'Daniel Mendoza-Espinosa'
'Lev N. Zakharov'
'Arnold L. Rheingold'
'William H. Watson'
'Kimberly A. Brien'
'L. Kasun Jayarathna'
'Tracy A. Hanna'
_publ_section_title
;
Bismuth Aryloxides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11002
_journal_page_last               11016
_journal_paper_doi               10.1021/ic901134t
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C54 H39 Bi O3'
_chemical_formula_weight         944.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXLTL
_cell_angle_alpha                90.00
_cell_angle_beta                 101.0720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0039(6)
_cell_length_b                   18.9566(9)
_cell_length_c                   16.4856(8)
_cell_measurement_reflns_used    9238
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.46
_cell_volume                     3988.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'CCD area detector Bruker Apex'
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28608
_diffrn_reflns_theta_full        28.20
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    4.467
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.049
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9339
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0234
_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)+(0.0279P)²+0.9328P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                8116
_reflns_number_total             9339
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901134t_si_001_06.cif
_cod_data_source_block           tcu58
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303662
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.282227(7) 0.194206(4) 0.684223(5) 0.02524(4) Uani 1 1 d . . .
O1 O 0.43889(14) 0.15834(9) 0.69970(11) 0.0315(4) Uani 1 1 d . . .
O2 O 0.34959(14) 0.29467(8) 0.68598(11) 0.0292(4) Uani 1 1 d . . .
O3 O 0.27951(14) 0.19083(8) 0.55623(11) 0.0318(4) Uani 1 1 d . . .
C1A C 0.47252(19) 0.09828(12) 0.74117(16) 0.0293(5) Uani 1 1 d . . .
C2A C 0.5330(2) 0.04990(13) 0.70476(17) 0.0345(6) Uani 1 1 d . . .
C3A C 0.5620(2) -0.01344(14) 0.74641(19) 0.0424(7) Uani 1 1 d . . .
H3AA H 0.6000 -0.0469 0.7221 0.051 Uiso 1 1 calc R . .
C4A C 0.5367(2) -0.02840(14) 0.8219(2) 0.0450(7) Uani 1 1 d . . .
H4AA H 0.5563 -0.0717 0.8481 0.054 Uiso 1 1 calc R . .
C5A C 0.4823(2) 0.02073(14) 0.85861(18) 0.0396(6) Uani 1 1 d . . .
H5AA H 0.4672 0.0112 0.9111 0.048 Uiso 1 1 calc R . .
C6A C 0.4490(2) 0.08427(13) 0.81965(16) 0.0325(5) Uani 1 1 d . . .
C7A C 0.3863(2) 0.13364(14) 0.86068(16) 0.0344(6) Uani 1 1 d . . .
C8A C 0.3068(2) 0.10784(16) 0.89880(18) 0.0423(7) Uani 1 1 d . . .
H8AA H 0.2939 0.0591 0.8987 0.051 Uiso 1 1 calc R . .
C9A C 0.2474(3) 0.15254(18) 0.93645(19) 0.0516(8) Uani 1 1 d . . .
H9AA H 0.1947 0.1339 0.9621 0.062 Uiso 1 1 calc R . .
C10A C 0.2639(3) 0.22405(18) 0.93709(19) 0.0499(8) Uani 1 1 d . . .
H10A H 0.2222 0.2544 0.9622 0.060 Uiso 1 1 calc R . .
C11A C 0.3422(2) 0.25079(16) 0.90062(17) 0.0442(7) Uani 1 1 d . . .
H11C H 0.3538 0.2997 0.9009 0.053 Uiso 1 1 calc R . .
C12A C 0.4039(2) 0.20667(14) 0.86356(17) 0.0383(6) Uani 1 1 d . . .
H12C H 0.4581 0.2257 0.8400 0.046 Uiso 1 1 calc R . .
C13A C 0.5708(2) 0.06439(14) 0.62668(19) 0.0392(6) Uani 1 1 d . . .
C14A C 0.5087(3) 0.09439(14) 0.55730(19) 0.0468(7) Uani 1 1 d . . .
H14C H 0.4396 0.1079 0.5592 0.056 Uiso 1 1 calc R . .
C15A C 0.5472(3) 0.10481(16) 0.4851(2) 0.0618(10) Uani 1 1 d . . .
H15C H 0.5035 0.1238 0.4381 0.074 Uiso 1 1 calc R . .
C16A C 0.6495(3) 0.08727(18) 0.4823(3) 0.0695(11) Uani 1 1 d . . .
H16C H 0.6763 0.0959 0.4341 0.083 Uiso 1 1 calc R . .
C17A C 0.7118(3) 0.0573(2) 0.5499(3) 0.0708(11) Uani 1 1 d . . .
H17C H 0.7812 0.0446 0.5478 0.085 Uiso 1 1 calc R . .
C18A C 0.6730(3) 0.04548(18) 0.6214(2) 0.0562(9) Uani 1 1 d . . .
H18B H 0.7164 0.0244 0.6672 0.067 Uiso 1 1 calc R . .
C1B C 0.2027(2) 0.16862(13) 0.49372(15) 0.0295(5) Uani 1 1 d . . .
C2B C 0.1321(2) 0.11478(13) 0.50540(16) 0.0331(6) Uani 1 1 d . . .
C3B C 0.0528(2) 0.09528(15) 0.44028(18) 0.0447(7) Uani 1 1 d . . .
H3BA H 0.0043 0.0605 0.4486 0.054 Uiso 1 1 calc R . .
C4B C 0.0442(3) 0.12625(16) 0.36371(19) 0.0508(8) Uani 1 1 d . . .
H4BA H -0.0094 0.1124 0.3199 0.061 Uiso 1 1 calc R . .
C5B C 0.1145(2) 0.17744(15) 0.35182(18) 0.0433(7) Uani 1 1 d . . .
H5BA H 0.1091 0.1975 0.2990 0.052 Uiso 1 1 calc R . .
C6B C 0.1941(2) 0.20076(13) 0.41578(17) 0.0329(6) Uani 1 1 d . . .
C7B C 0.2670(2) 0.25692(13) 0.39836(15) 0.0338(6) Uani 1 1 d . . .
C8B C 0.2290(3) 0.31178(14) 0.3438(2) 0.0472(8) Uani 1 1 d . . .
H8BA H 0.1572 0.3143 0.3207 0.057 Uiso 1 1 calc R . .
C9B C 0.2967(3) 0.36209(16) 0.3240(2) 0.0589(9) Uani 1 1 d . . .
H9BA H 0.2701 0.3989 0.2877 0.071 Uiso 1 1 calc R . .
C10B C 0.4012(3) 0.35959(16) 0.3559(2) 0.0573(9) Uani 1 1 d . . .
H10C H 0.4465 0.3939 0.3412 0.069 Uiso 1 1 calc R . .
C11B C 0.4399(3) 0.30609(15) 0.4101(2) 0.0481(8) Uani 1 1 d . . .
H11B H 0.5119 0.3040 0.4327 0.058 Uiso 1 1 calc R . .
C12B C 0.3732(2) 0.25567(14) 0.43125(16) 0.0371(6) Uani 1 1 d . . .
H12B H 0.4004 0.2198 0.4687 0.045 Uiso 1 1 calc R . .
C13B C 0.1414(2) 0.07779(13) 0.58577(16) 0.0353(6) Uani 1 1 d . . .
C14B C 0.2330(2) 0.04206(13) 0.62021(17) 0.0388(6) Uani 1 1 d . . .
H14B H 0.2898 0.0418 0.5925 0.047 Uiso 1 1 calc R . .
C15B C 0.2413(3) 0.00679(15) 0.69528(19) 0.0506(8) Uani 1 1 d . . .
H15B H 0.3036 -0.0170 0.7179 0.061 Uiso 1 1 calc R . .
C16B C 0.1595(4) 0.00656(17) 0.7363(2) 0.0621(10) Uani 1 1 d . . .
H16A H 0.1655 -0.0173 0.7870 0.075 Uiso 1 1 calc R . .
C17B C 0.0686(3) 0.04137(19) 0.7032(2) 0.0636(10) Uani 1 1 d . . .
H17A H 0.0123 0.0411 0.7314 0.076 Uiso 1 1 calc R . .
C18B C 0.0591(3) 0.07711(15) 0.62832(19) 0.0462(7) Uani 1 1 d . . .
H18A H -0.0035 0.1009 0.6065 0.055 Uiso 1 1 calc R . .
C1C C 0.3150(2) 0.34380(11) 0.62649(15) 0.0283(5) Uani 1 1 d . . .
C2C C 0.2072(2) 0.35683(12) 0.59969(15) 0.0302(5) Uani 1 1 d . . .
C3C C 0.1751(2) 0.40563(13) 0.53679(16) 0.0369(6) Uani 1 1 d . . .
H3CA H 0.1032 0.4124 0.5162 0.044 Uiso 1 1 calc R . .
C4C C 0.2476(3) 0.44413(14) 0.50440(18) 0.0428(7) Uani 1 1 d . . .
H4CA H 0.2252 0.4777 0.4628 0.051 Uiso 1 1 calc R . .
C5C C 0.3524(2) 0.43320(13) 0.53305(17) 0.0380(6) Uani 1 1 d . . .
H5CA H 0.4013 0.4608 0.5119 0.046 Uiso 1 1 calc R . .
C6C C 0.3886(2) 0.38215(12) 0.59291(16) 0.0313(5) Uani 1 1 d . . .
C7C C 0.5033(2) 0.36985(13) 0.61756(15) 0.0324(5) Uani 1 1 d . . .
C8C C 0.5712(2) 0.42703(15) 0.63337(18) 0.0423(7) Uani 1 1 d . . .
H8CA H 0.5435 0.4730 0.6306 0.051 Uiso 1 1 calc R . .
C9C C 0.6785(3) 0.41767(18) 0.6531(2) 0.0524(8) Uani 1 1 d . . .
H9CA H 0.7230 0.4570 0.6643 0.063 Uiso 1 1 calc R . .
C10C C 0.7200(3) 0.35104(19) 0.6564(2) 0.0532(8) Uani 1 1 d . . .
H10B H 0.7930 0.3447 0.6692 0.064 Uiso 1 1 calc R . .
C11C C 0.6542(2) 0.29307(17) 0.64092(19) 0.0440(7) Uani 1 1 d . . .
H11A H 0.6827 0.2474 0.6435 0.053 Uiso 1 1 calc R . .
C12C C 0.5463(2) 0.30229(13) 0.62158(17) 0.0362(6) Uani 1 1 d . . .
H12A H 0.5020 0.2628 0.6112 0.043 Uiso 1 1 calc R . .
C13C C 0.1279(2) 0.31984(13) 0.63738(17) 0.0320(6) Uani 1 1 d . . .
C14C C 0.1330(2) 0.32017(14) 0.72280(17) 0.0364(6) Uani 1 1 d . . .
H14A H 0.1895 0.3427 0.7572 0.044 Uiso 1 1 calc R . .
C15C C 0.0567(3) 0.28810(17) 0.7576(2) 0.0465(7) Uani 1 1 d . . .
H15A H 0.0616 0.2889 0.8152 0.056 Uiso 1 1 calc R . .
C16C C -0.0266(2) 0.25498(17) 0.7081(2) 0.0517(8) Uani 1 1 d . . .
H16B H -0.0788 0.2332 0.7316 0.062 Uiso 1 1 calc R . .
C17C C -0.0328(2) 0.25395(17) 0.6237(2) 0.0517(8) Uani 1 1 d . . .
H17B H -0.0899 0.2315 0.5900 0.062 Uiso 1 1 calc R . .
C18C C 0.0435(2) 0.28525(15) 0.58783(19) 0.0412(6) Uani 1 1 d . . .
H18C H 0.0386 0.2833 0.5302 0.049 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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
O2 Bi1 O3 88.16(6) . . ?
O2 Bi1 O1 84.26(7) . . ?
O3 Bi1 O1 86.65(7) . . ?
C1A O1 Bi1 122.69(15) . . ?
C1C O2 Bi1 122.10(15) . . ?
C1B O3 Bi1 129.72(16) . . ?
O1 C1A C6A 121.0(2) . . ?
O1 C1A C2A 118.8(2) . . ?
C6A C1A C2A 120.2(2) . . ?
C3A C2A C1A 117.9(3) . . ?
C3A C2A C13A 118.7(2) . . ?
C1A C2A C13A 123.4(2) . . ?
C4A C3A C2A 122.1(3) . . ?
C5A C4A C3A 119.3(3) . . ?
C4A C5A C6A 121.4(3) . . ?
C5A C6A C1A 118.9(2) . . ?
C5A C6A C7A 118.9(2) . . ?
C1A C6A C7A 122.2(2) . . ?
C12A C7A C8A 117.4(3) . . ?
C12A C7A C6A 122.5(3) . . ?
C8A C7A C6A 120.1(2) . . ?
C9A C8A C7A 121.1(3) . . ?
C10A C9A C8A 120.8(3) . . ?
C9A C10A C11A 119.3(3) . . ?
C10A C11A C12A 120.8(3) . . ?
C11A C12A C7A 120.6(3) . . ?
C14A C13A C18A 117.6(3) . . ?
C14A C13A C2A 123.4(3) . . ?
C18A C13A C2A 118.9(3) . . ?
C13A C14A C15A 121.0(3) . . ?
C16A C15A C14A 120.1(4) . . ?
C17A C16A C15A 119.8(3) . . ?
C16A C17A C18A 120.2(3) . . ?
C17A C18A C13A 121.2(4) . . ?
O3 C1B C6B 118.5(2) . . ?
O3 C1B C2B 121.6(2) . . ?
C6B C1B C2B 119.9(2) . . ?
C3B C2B C1B 119.6(3) . . ?
C3B C2B C13B 119.1(2) . . ?
C1B C2B C13B 121.3(2) . . ?
C4B C3B C2B 120.8(3) . . ?
C5B C4B C3B 119.6(3) . . ?
C4B C5B C6B 122.1(3) . . ?
C5B C6B C1B 118.0(3) . . ?
C5B C6B C7B 119.1(2) . . ?
C1B C6B C7B 122.9(2) . . ?
C12B C7B C8B 117.8(3) . . ?
C12B C7B C6B 122.4(2) . . ?
C8B C7B C6B 119.7(3) . . ?
C9B C8B C7B 120.2(3) . . ?
C10B C9B C8B 121.3(3) . . ?
C9B C10B C11B 119.2(3) . . ?
C12B C11B C10B 120.3(3) . . ?
C11B C12B C7B 121.2(3) . . ?
C18B C13B C14B 118.1(3) . . ?
C18B C13B C2B 121.1(3) . . ?
C14B C13B C2B 120.7(2) . . ?
C15B C14B C13B 120.7(3) . . ?
C16B C15B C14B 120.5(3) . . ?
C15B C16B C17B 119.6(3) . . ?
C16B C17B C18B 120.7(3) . . ?
C13B C18B C17B 120.4(3) . . ?
O2 C1C C6C 118.9(2) . . ?
O2 C1C C2C 121.1(2) . . ?
C6C C1C C2C 120.0(2) . . ?
C3C C2C C1C 119.2(2) . . ?
C3C C2C C13C 119.6(2) . . ?
C1C C2C C13C 121.1(2) . . ?
C4C C3C C2C 120.7(3) . . ?
C5C C4C C3C 119.7(2) . . ?
C4C C5C C6C 121.7(3) . . ?
C5C C6C C1C 118.4(2) . . ?
C5C C6C C7C 119.1(2) . . ?
C1C C6C C7C 122.5(2) . . ?
C8C C7C C12C 118.3(3) . . ?
C8C C7C C6C 119.7(2) . . ?
C12C C7C C6C 121.9(2) . . ?
C9C C8C C7C 121.3(3) . . ?
C10C C9C C8C 120.0(3) . . ?
C9C C10C C11C 119.9(3) . . ?
C10C C11C C12C 120.2(3) . . ?
C11C C12C C7C 120.3(3) . . ?
C18C C13C C14C 118.1(3) . . ?
C18C C13C C2C 120.6(3) . . ?
C14C C13C C2C 121.3(2) . . ?
C15C C14C C13C 121.3(3) . . ?
C16C C15C C14C 120.1(3) . . ?
C15C C16C C17C 119.5(3) . . ?
C16C C17C C18C 121.2(3) . . ?
C17C C18C C13C 119.9(3) . . ?
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
Bi1 O2 2.0941(16) . ?
Bi1 O3 2.1046(18) . ?
Bi1 O1 2.1161(17) . ?
O1 C1A 1.357(3) . ?
O2 C1C 1.365(3) . ?
O3 C1B 1.357(3) . ?
C1A C6A 1.410(4) . ?
C1A C2A 1.415(4) . ?
C2A C3A 1.398(4) . ?
C2A C13A 1.489(4) . ?
C3A C4A 1.376(4) . ?
C4A C5A 1.379(4) . ?
C5A C6A 1.394(3) . ?
C6A C7A 1.487(4) . ?
C7A C12A 1.402(4) . ?
C7A C8A 1.397(4) . ?
C8A C9A 1.373(4) . ?
C9A C10A 1.372(5) . ?
C10A C11A 1.374(4) . ?
C11A C12A 1.380(4) . ?
C13A C14A 1.389(4) . ?
C13A C18A 1.396(4) . ?
C14A C15A 1.392(4) . ?
C15A C16A 1.381(5) . ?
C16A C17A 1.369(6) . ?
C17A C18A 1.387(5) . ?
C1B C6B 1.407(4) . ?
C1B C2B 1.411(4) . ?
C2B C3B 1.388(4) . ?
C2B C13B 1.483(4) . ?
C3B C4B 1.377(4) . ?
C4B C5B 1.373(4) . ?
C5B C6B 1.400(4) . ?
C6B C7B 1.489(4) . ?
C7B C12B 1.384(4) . ?
C7B C8B 1.401(4) . ?
C8B C9B 1.379(5) . ?
C9B C10B 1.360(5) . ?
C10B C11B 1.381(5) . ?
C11B C12B 1.379(4) . ?
C13B C18B 1.388(4) . ?
C13B C14B 1.392(4) . ?
C14B C15B 1.392(4) . ?
C15B C16B 1.365(5) . ?
C16B C17B 1.372(5) . ?
C17B C18B 1.393(5) . ?
C1C C6C 1.399(3) . ?
C1C C2C 1.408(4) . ?
C2C C3C 1.393(3) . ?
C2C C13C 1.479(4) . ?
C3C C4C 1.379(4) . ?
C4C C5C 1.370(4) . ?
C5C C6C 1.398(4) . ?
C6C C7C 1.487(4) . ?
C7C C8C 1.390(4) . ?
C7C C12C 1.394(3) . ?
C8C C9C 1.383(4) . ?
C9C C10C 1.371(5) . ?
C10C C11C 1.386(4) . ?
C11C C12C 1.389(4) . ?
C13C C18C 1.399(4) . ?
C13C C14C 1.397(4) . ?
C14C C15C 1.379(4) . ?
C15C C16C 1.376(5) . ?
C16C C17C 1.377(4) . ?
C17C C18C 1.383(4) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30660757
