#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/20/4022029.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_4022029
loop_
_publ_author_name
'Daisuke Takeuchi'
'Itaru Asano'
'Kohtaro Osakada'
_publ_contact_author_email       kosakada@res.titech.ac.jp
_publ_contact_author_fax         +81-45-924-5224
_publ_contact_author_name        'Kohtaro Osakada'
_publ_contact_author_phone       +81-45-924-5224
_publ_section_title
;
 Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s,
 - (C₆H₄O)ₙ - (n = 6-10)
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8614
_journal_page_last               8617
_journal_paper_doi               10.1021/jo0609982
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C44 H30 Cl6 O7 '
_chemical_formula_sum            'C44 H30 Cl6 O7'
_chemical_formula_weight         883.43
_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'
_audit_creation_date             2006-05-14
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.36(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.61(2)
_cell_length_b                   10.187(15)
_cell_length_c                   26.99(4)
_cell_measurement_reflns_used    7475
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3938(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            28432
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.489
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1808.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     544
_refine_ls_number_reflns         2616
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000σ(Fo²)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                2566
_reflns_number_total             8946
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            jo0609982si20060518_031620_2.cif
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44 H30 Cl6 O7 '
_cod_database_code               4022029
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cl(1) Cl 0.8438(2) 1.0214(2) 0.05652(12) 0.0778(11) Uani 1.00 1 d .
Cl(2) Cl 0.69274(17) 0.9419(2) 0.10307(9) 0.0475(8) Uani 1.00 1 d .
Cl(3) Cl 0.8740(2) 0.8296(2) 0.13458(10) 0.0704(10) Uani 1.00 1 d .
Cl(4) Cl 0.81538(19) 1.2744(2) 0.28302(10) 0.0581(9) Uani 1.00 1 d .
Cl(5) Cl 0.8621(2) 1.0438(2) 0.23285(10) 0.0655(10) Uani 1.00 1 d .
Cl(6) Cl 0.9247(2) 1.0739(4) 0.33842(11) 0.1110(14) Uani 1.00 1 d .
O(1) O 0.7079(3) 1.2622(5) -0.10645(19) 0.0249(17) Uani 1.00 1 d .
O(2) O 0.4861(3) 0.8528(5) -0.0663(2) 0.0237(17) Uani 1.00 1 d .
O(3) O 0.6742(3) 0.4035(5) 0.0091(2) 0.0272(17) Uani 1.00 1 d .
O(4) O 0.9166(3) 0.3653(5) 0.1917(2) 0.0292(18) Uani 1.00 1 d .
O(5) O 1.0806(3) 0.7981(5) 0.29481(19) 0.0321(18) Uani 1.00 1 d .
O(6) O 1.1829(3) 1.2225(5) 0.1912(2) 0.0268(18) Uani 1.00 1 d .
O(7) O 1.0809(3) 1.2736(5) -0.01589(19) 0.0223(17) Uani 1.00 1 d .
C(1) C 0.6524(5) 1.1601(7) -0.0950(2) 0.018(2) Uani 1.00 1 d .
C(2) C 0.5919(5) 1.1023(8) -0.1330(3) 0.029(2) Uani 1.00 1 d .
C(3) C 0.5347(5) 0.9988(8) -0.1236(2) 0.028(2) Uani 1.00 1 d .
C(4) C 0.5434(5) 0.9579(7) -0.0745(2) 0.018(2) Uani 1.00 1 d .
C(5) C 0.5995(5) 1.0189(7) -0.0364(2) 0.019(2) Uani 1.00 1 d .
C(6) C 0.6550(5) 1.1213(7) -0.0456(2) 0.021(2) Uani 1.00 1 d .
C(7) C 0.5351(5) 0.7412(8) -0.0457(3) 0.021(2) Uani 1.00 1 d .
C(8) C 0.5579(5) 0.6483(7) -0.0772(3) 0.022(2) Uani 1.00 1 d .
C(9) C 0.6053(5) 0.5356(7) -0.0589(2) 0.019(2) Uani 1.00 1 d .
C(10) C 0.6303(5) 0.5206(7) -0.0071(3) 0.022(2) Uani 1.00 1 d .
C(11) C 0.6053(5) 0.6119(7) 0.0249(2) 0.021(2) Uani 1.00 1 d .
C(12) C 0.5587(5) 0.7228(8) 0.0063(2) 0.024(2) Uani 1.00 1 d .
C(13) C 0.7330(5) 0.4012(7) 0.0553(2) 0.018(2) Uani 1.00 1 d .
C(14) C 0.7178(5) 0.3108(7) 0.0904(3) 0.026(2) Uani 1.00 1 d .
C(15) C 0.7781(5) 0.3016(7) 0.1360(3) 0.023(2) Uani 1.00 1 d .
C(16) C 0.8541(5) 0.3843(8) 0.1469(2) 0.025(2) Uani 1.00 1 d .
C(17) C 0.8694(5) 0.4782(7) 0.1117(3) 0.027(2) Uani 1.00 1 d .
C(18) C 0.8085(5) 0.4856(7) 0.0662(2) 0.022(2) Uani 1.00 1 d .
C(19) C 0.9565(5) 0.4762(8) 0.2170(2) 0.021(2) Uani 1.00 1 d .
C(20) C 1.0527(5) 0.4830(8) 0.2306(2) 0.025(2) Uani 1.00 1 d .
C(21) C 1.0939(5) 0.5908(9) 0.2565(2) 0.030(2) Uani 1.00 1 d .
C(22) C 1.0386(6) 0.6918(8) 0.2679(2) 0.027(2) Uani 1.00 1 d .
C(23) C 0.9443(5) 0.6847(8) 0.2548(2) 0.023(2) Uani 1.00 1 d .
C(24) C 0.9013(5) 0.5753(8) 0.2291(2) 0.026(2) Uani 1.00 1 d .
C(25) C 1.1065(5) 0.8985(8) 0.2662(3) 0.025(2) Uani 1.00 1 d .
C(26) C 1.1397(5) 1.0137(8) 0.2915(3) 0.026(2) Uani 1.00 1 d .
C(27) C 1.1653(5) 1.1199(8) 0.2667(2) 0.022(2) Uani 1.00 1 d .
C(28) C 1.1539(5) 1.1115(8) 0.2138(2) 0.020(2) Uani 1.00 1 d .
C(29) C 1.1228(5) 1.0016(8) 0.1896(2) 0.023(2) Uani 1.00 1 d .
C(30) C 1.0974(5) 0.8950(8) 0.2146(2) 0.028(2) Uani 1.00 1 d .
C(31) C 1.1546(5) 1.2300(7) 0.1389(2) 0.022(2) Uani 1.00 1 d .
C(32) C 1.2206(5) 1.2327(7) 0.1087(3) 0.020(2) Uani 1.00 1 d .
C(33) C 1.1942(5) 1.2454(7) 0.0571(2) 0.021(2) Uani 1.00 1 d .
C(34) C 1.1019(5) 1.2591(7) 0.0365(2) 0.020(2) Uani 1.00 1 d .
C(35) C 1.0334(5) 1.2568(7) 0.0651(2) 0.018(2) Uani 1.00 1 d .
C(36) C 1.0630(5) 1.2431(7) 0.1174(2) 0.022(2) Uani 1.00 1 d .
C(37) C 0.9864(5) 1.2702(8) -0.0385(2) 0.019(2) Uani 1.00 1 d .
C(38) C 0.9389(5) 1.3840(8) -0.0536(2) 0.021(2) Uani 1.00 1 d .
C(39) C 0.8458(5) 1.3781(7) -0.0757(2) 0.020(2) Uani 1.00 1 d .
C(40) C 0.8001(5) 1.2606(8) -0.0841(2) 0.019(2) Uani 1.00 1 d .
C(41) C 0.8487(5) 1.1471(7) -0.0697(2) 0.019(2) Uani 1.00 1 d .
C(42) C 0.9416(5) 1.1506(8) -0.0485(2) 0.024(2) Uani 1.00 1 d .
C(43) C 0.7960(5) 0.8944(9) 0.0854(3) 0.038(3) Uani 1.00 1 d .
C(44) C 0.8996(6) 1.1535(10) 0.2819(2) 0.047(3) Uani 1.00 1 d .
H(1) H 0.5888 1.1324 -0.1666 0.033 Uiso 1.00 1 c R
H(2) H 0.4902 0.9596 -0.1499 0.032 Uiso 1.00 1 c R
H(3) H 0.6009 0.9901 -0.0028 0.022 Uiso 1.00 1 c R
H(4) H 0.6943 1.1653 -0.0184 0.024 Uiso 1.00 1 c R
H(5) H 0.5408 0.6632 -0.1126 0.025 Uiso 1.00 1 c R
H(6) H 0.6200 0.4701 -0.0811 0.022 Uiso 1.00 1 c R
H(7) H 0.6210 0.5985 0.0604 0.024 Uiso 1.00 1 c R
H(8) H 0.5405 0.7859 0.0284 0.030 Uiso 1.00 1 c R
H(9) H 0.6646 0.2553 0.0827 0.030 Uiso 1.00 1 c R
H(10) H 0.7680 0.2387 0.1604 0.026 Uiso 1.00 1 c R
H(11) H 0.9216 0.5353 0.1197 0.033 Uiso 1.00 1 c R
H(12) H 0.8179 0.5485 0.0417 0.026 Uiso 1.00 1 c R
H(13) H 1.0893 0.4133 0.2215 0.029 Uiso 1.00 1 c R
H(14) H 1.1598 0.5958 0.2671 0.035 Uiso 1.00 1 c R
H(15) H 0.9077 0.7544 0.2640 0.027 Uiso 1.00 1 c R
H(16) H 0.8353 0.5682 0.2198 0.031 Uiso 1.00 1 c R
H(17) H 1.1459 1.0170 0.3272 0.031 Uiso 1.00 1 c R
H(18) H 1.1907 1.1966 0.2843 0.026 Uiso 1.00 1 c R
H(19) H 1.1188 0.9963 0.1541 0.028 Uiso 1.00 1 c R
H(20) H 1.0736 0.8181 0.1967 0.031 Uiso 1.00 1 c R
H(21) H 1.2847 1.2252 0.1242 0.022 Uiso 1.00 1 c R
H(22) H 1.2390 1.2445 0.0360 0.025 Uiso 1.00 1 c R
H(23) H 0.9695 1.2664 0.0495 0.023 Uiso 1.00 1 c R
H(24) H 1.0182 1.2424 0.1386 0.026 Uiso 1.00 1 c R
H(25) H 0.9714 1.4651 -0.0483 0.026 Uiso 1.00 1 c R
H(26) H 0.8127 1.4573 -0.0853 0.023 Uiso 1.00 1 c R
H(27) H 0.8174 1.0652 -0.0758 0.023 Uiso 1.00 1 c R
H(28) H 0.9761 1.0723 -0.0393 0.030 Uiso 1.00 1 c R
H(29) H 0.7804 0.8265 0.0611 0.045 Uiso 1.00 1 c R
H(30) H 0.9548 1.1946 0.2759 0.055 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, 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
C(1) O(1) C(40) 117.5(5)
C(4) O(2) C(7) 114.0(5)
C(10) O(3) C(13) 118.1(5)
C(16) O(4) C(19) 117.3(5)
C(22) O(5) C(25) 115.5(6)
C(28) O(6) C(31) 115.7(5)
C(34) O(7) C(37) 116.2(6)
O(1) C(1) C(2) 118.8(7)
O(1) C(1) C(6) 121.4(6)
C(2) C(1) C(6) 119.7(7)
C(1) C(2) C(3) 121.1(7)
C(2) C(3) C(4) 117.3(7)
O(2) C(4) C(3) 116.1(6)
O(2) C(4) C(5) 121.8(7)
C(3) C(4) C(5) 122.0(7)
C(4) C(5) C(6) 120.5(7)
C(1) C(6) C(5) 119.1(6)
O(2) C(7) C(8) 119.2(7)
O(2) C(7) C(12) 121.0(7)
C(8) C(7) C(12) 119.7(7)
C(7) C(8) C(9) 121.4(7)
C(8) C(9) C(10) 118.0(7)
O(3) C(10) C(9) 115.3(7)
O(3) C(10) C(11) 123.6(7)
C(9) C(10) C(11) 120.8(7)
C(10) C(11) C(12) 120.6(7)
C(7) C(12) C(11) 119.3(7)
O(3) C(13) C(14) 118.8(6)
O(3) C(13) C(18) 121.0(7)
C(14) C(13) C(18) 120.2(6)
C(13) C(14) C(15) 120.3(7)
C(14) C(15) C(16) 119.8(7)
O(4) C(16) C(15) 117.8(7)
O(4) C(16) C(17) 121.8(7)
C(15) C(16) C(17) 120.3(7)
C(16) C(17) C(18) 119.0(7)
C(13) C(18) C(17) 120.4(7)
O(4) C(19) C(20) 118.5(7)
O(4) C(19) C(24) 120.4(7)
C(20) C(19) C(24) 121.1(7)
C(19) C(20) C(21) 119.6(8)
C(20) C(21) C(22) 119.5(7)
O(5) C(22) C(21) 118.9(8)
O(5) C(22) C(23) 120.2(8)
C(21) C(22) C(23) 120.8(7)
C(22) C(23) C(24) 120.5(8)
C(19) C(24) C(23) 118.5(7)
O(5) C(25) C(26) 117.2(7)
O(5) C(25) C(30) 124.5(7)
C(26) C(25) C(30) 118.2(8)
C(25) C(26) C(27) 122.0(7)
C(26) C(27) C(28) 117.5(7)
O(6) C(28) C(27) 114.2(6)
O(6) C(28) C(29) 125.0(7)
C(27) C(28) C(29) 120.7(7)
C(28) C(29) C(30) 121.6(7)
C(25) C(30) C(29) 119.9(7)
O(6) C(31) C(32) 119.7(6)
O(6) C(31) C(36) 120.7(7)
C(32) C(31) C(36) 119.5(7)
C(31) C(32) C(33) 120.6(7)
C(32) C(33) C(34) 118.7(8)
O(7) C(34) C(33) 115.2(7)
O(7) C(34) C(35) 122.0(6)
C(33) C(34) C(35) 122.7(7)
C(34) C(35) C(36) 116.8(6)
C(31) C(36) C(35) 121.6(8)
O(7) C(37) C(38) 120.5(7)
O(7) C(37) C(42) 119.7(7)
C(38) C(37) C(42) 119.7(7)
C(37) C(38) C(39) 119.4(7)
C(38) C(39) C(40) 121.3(7)
O(1) C(40) C(39) 118.1(7)
O(1) C(40) C(41) 123.1(7)
C(39) C(40) C(41) 118.8(7)
C(40) C(41) C(42) 120.8(7)
C(37) C(42) C(41) 119.8(7)
Cl(1) C(43) Cl(2) 111.4(5)
Cl(1) C(43) Cl(3) 112.0(4)
Cl(2) C(43) Cl(3) 112.2(5)
Cl(4) C(44) Cl(5) 110.5(4)
Cl(4) C(44) Cl(6) 110.4(5)
Cl(5) C(44) Cl(6) 110.9(5)
C(1) C(2) H(1) 119.0
C(3) C(2) H(1) 119.9
C(2) C(3) H(2) 121.8
C(4) C(3) H(2) 120.9
C(4) C(5) H(3) 119.2
C(6) C(5) H(3) 120.3
C(1) C(6) H(4) 120.4
C(5) C(6) H(4) 120.5
C(7) C(8) H(5) 118.0
C(9) C(8) H(5) 120.5
C(8) C(9) H(6) 121.1
C(10) C(9) H(6) 120.9
C(10) C(11) H(7) 119.9
C(12) C(11) H(7) 119.5
C(7) C(12) H(8) 119.9
C(11) C(12) H(8) 120.8
C(13) C(14) H(9) 119.1
C(15) C(14) H(9) 120.6
C(14) C(15) H(10) 120.7
C(16) C(15) H(10) 119.5
C(16) C(17) H(11) 119.7
C(18) C(17) H(11) 121.3
C(13) C(18) H(12) 119.2
C(17) C(18) H(12) 120.3
C(19) C(20) H(13) 119.3
C(21) C(20) H(13) 121.1
C(20) C(21) H(14) 120.7
C(22) C(21) H(14) 119.8
C(22) C(23) H(15) 119.2
C(24) C(23) H(15) 120.3
C(19) C(24) H(16) 119.7
C(23) C(24) H(16) 121.8
C(25) C(26) H(17) 118.7
C(27) C(26) H(17) 119.3
C(26) C(27) H(18) 121.8
C(28) C(27) H(18) 120.7
C(28) C(29) H(19) 119.4
C(30) C(29) H(19) 119.0
C(25) C(30) H(20) 119.5
C(29) C(30) H(20) 120.6
C(31) C(32) H(21) 118.9
C(33) C(32) H(21) 120.5
C(32) C(33) H(22) 121.2
C(34) C(33) H(22) 120.1
C(34) C(35) H(23) 120.7
C(36) C(35) H(23) 122.4
C(31) C(36) H(24) 118.9
C(35) C(36) H(24) 119.6
C(37) C(38) H(25) 118.9
C(39) C(38) H(25) 121.7
C(38) C(39) H(26) 119.3
C(40) C(39) H(26) 119.4
C(40) C(41) H(27) 119.1
C(42) C(41) H(27) 120.0
C(37) C(42) H(28) 118.9
C(41) C(42) H(28) 121.3
Cl(1) C(43) H(29) 107.2
Cl(2) C(43) H(29) 106.8
Cl(3) C(43) H(29) 106.8
Cl(4) C(44) H(30) 108.5
Cl(5) C(44) H(30) 107.8
Cl(6) C(44) H(30) 108.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cl(1) C(43) 1.727(9)
Cl(2) C(43) 1.738(9)
Cl(3) C(43) 1.703(8)
Cl(4) C(44) 1.746(10)
Cl(5) C(44) 1.736(9)
Cl(6) C(44) 1.703(9)
O(1) C(1) 1.391(9)
O(1) C(40) 1.362(9)
O(2) C(4) 1.405(9)
O(2) C(7) 1.398(9)
O(3) C(10) 1.383(9)
O(3) C(13) 1.369(8)
O(4) C(16) 1.379(8)
O(4) C(19) 1.388(9)
O(5) C(22) 1.378(9)
O(5) C(25) 1.379(10)
O(6) C(28) 1.390(10)
O(6) C(31) 1.394(9)
O(7) C(34) 1.395(9)
O(7) C(37) 1.396(9)
C(1) C(2) 1.350(10)
C(1) C(6) 1.385(11)
C(2) C(3) 1.399(12)
C(3) C(4) 1.370(11)
C(4) C(5) 1.335(10)
C(5) C(6) 1.374(11)
C(7) C(8) 1.357(11)
C(7) C(12) 1.390(11)
C(8) C(9) 1.381(10)
C(9) C(10) 1.382(11)
C(10) C(11) 1.365(11)
C(11) C(12) 1.363(11)
C(13) C(14) 1.370(11)
C(13) C(18) 1.383(11)
C(14) C(15) 1.370(10)
C(15) C(16) 1.380(11)
C(16) C(17) 1.395(12)
C(17) C(18) 1.369(10)
C(19) C(20) 1.383(11)
C(19) C(24) 1.371(12)
C(20) C(21) 1.375(11)
C(21) C(22) 1.380(13)
C(22) C(23) 1.356(12)
C(23) C(24) 1.395(11)
C(25) C(26) 1.397(11)
C(25) C(30) 1.371(11)
C(26) C(27) 1.362(12)
C(27) C(28) 1.408(11)
C(28) C(29) 1.330(11)
C(29) C(30) 1.369(12)
C(31) C(32) 1.380(12)
C(31) C(36) 1.355(11)
C(32) C(33) 1.376(11)
C(33) C(34) 1.361(10)
C(34) C(35) 1.377(12)
C(35) C(36) 1.401(10)
C(37) C(38) 1.370(11)
C(37) C(42) 1.383(12)
C(38) C(39) 1.375(11)
C(39) C(40) 1.368(11)
C(40) C(41) 1.373(11)
C(41) C(42) 1.366(11)
C(2) H(1) 0.950
C(3) H(2) 0.950
C(5) H(3) 0.950
C(6) H(4) 0.950
C(8) H(5) 0.950
C(9) H(6) 0.950
C(11) H(7) 0.950
C(12) H(8) 0.950
C(14) H(9) 0.950
C(15) H(10) 0.950
C(17) H(11) 0.950
C(18) H(12) 0.950
C(20) H(13) 0.950
C(21) H(14) 0.950
C(23) H(15) 0.950
C(24) H(16) 0.950
C(26) H(17) 0.950
C(27) H(18) 0.950
C(29) H(19) 0.950
C(30) H(20) 0.950
C(32) H(21) 0.950
C(33) H(22) 0.950
C(35) H(23) 0.950
C(36) H(24) 0.950
C(38) H(25) 0.950
C(39) H(26) 0.950
C(41) H(27) 0.950
C(42) H(28) 0.950
C(43) H(29) 0.950
C(44) H(30) 0.950
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21154195
