#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:26:07 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180393 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/62/7206210.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_7206210
loop_
_publ_author_name
'Jing, Wang'
'Ren, Zhi-Gang'
'Dai, Ming'
'Chen, Yang'
'Lang, Jian-Ping'
_publ_section_title
;
 Novel Zn and Cd coordination polymers of
 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal
 synthesis, crystal structures and photoluminescence properties
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              5111
_journal_paper_doi               10.1039/c1ce05156c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C20 H22 Cl2 N4 Zn'
_chemical_formula_sum            'C20 H22 Cl2 N4 Zn'
_chemical_formula_weight         454.69
_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
_cell_angle_alpha                102.98(3)
_cell_angle_beta                 104.75(3)
_cell_angle_gamma                98.51(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1700(18)
_cell_length_b                   9.949(2)
_cell_length_c                   12.068(2)
_cell_measurement_reflns_used    4186
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      3.1740
_cell_volume                     1012.6(4)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC,2004)'
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_diffrn_measurement_method       ω
_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  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9659
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.489
_exptl_absorpt_correction_T_max  0.8654
_exptl_absorpt_correction_T_min  0.5873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4540
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0465P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                3384
_reflns_number_total             4540
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05156c.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1012.6(3)
_cod_database_code               7206210
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_assembly
_atom_site_disorder_group
Zn1 Zn 0.18167(4) 0.27740(3) 0.76578(3) 0.03558(13) Uani 1 1 d . . .
Cl1 Cl 0.28031(12) 0.21329(9) 0.92989(7) 0.0543(2) Uani 1 1 d . . .
Cl2 Cl -0.05158(9) 0.15188(8) 0.64540(7) 0.0437(2) Uani 1 1 d . . .
N1 N 0.1737(3) 0.4829(2) 0.8295(2) 0.0352(6) Uani 1 1 d . A .
N2 N 0.1445(3) 0.6683(3) 0.9573(2) 0.0465(7) Uani 1 1 d . . .
N3 N 0.4000(4) 1.2195(3) 1.5017(3) 0.0686(11) Uani 1 1 d . . .
N4 N 0.3167(3) 1.2774(2) 1.6576(2) 0.0354(6) Uani 1 1 d . . .
C1 C 0.1725(4) 0.5385(3) 0.9394(3) 0.0421(8) Uani 1 1 d . A .
H1 H 0.1897 0.4912 0.9992 0.051 Uiso 1 1 calc R . .
C2 C 0.1438(3) 0.5860(3) 0.7707(3) 0.0327(7) Uani 1 1 d . . .
C3 C 0.1312(3) 0.5844(3) 0.6533(3) 0.0373(7) Uani 1 1 d . A .
H3 H 0.1453 0.5064 0.5996 0.045 Uiso 1 1 calc R . .
C4 C 0.0972(4) 0.7022(4) 0.6188(3) 0.0490(9) Uani 1 1 d . . .
H4 H 0.0878 0.7050 0.5400 0.059 Uiso 1 1 calc R A .
C5 C 0.0763(4) 0.8177(4) 0.6995(4) 0.0599(11) Uani 1 1 d . A .
H5 H 0.0517 0.8956 0.6728 0.072 Uiso 1 1 calc R . .
C6 C 0.0904(4) 0.8210(3) 0.8151(4) 0.0544(10) Uani 1 1 d . . .
H6 H 0.0772 0.8995 0.8687 0.065 Uiso 1 1 calc R A .
C7 C 0.1251(4) 0.7028(3) 0.8500(3) 0.0392(8) Uani 1 1 d . A .
C8 C 0.1468(16) 0.7400(13) 1.0824(11) 0.045(3) Uani 0.595(7) 1 d P A 1
H8A H 0.1124 0.6676 1.1190 0.054 Uiso 0.595(7) 1 calc PR A 1
H8B H 0.0727 0.8016 1.0780 0.054 Uiso 0.595(7) 1 calc PR A 1
C9 C 0.3057(8) 0.8282(7) 1.1628(5) 0.0438(17) Uani 0.595(7) 1 d P A 1
H9A H 0.3026 0.8519 1.2454 0.053 Uiso 0.595(7) 1 calc PR A 1
H9B H 0.3822 0.7698 1.1579 0.053 Uiso 0.595(7) 1 calc PR A 1
C10 C 0.3596(10) 0.9635(8) 1.1336(6) 0.044(2) Uani 0.595(7) 1 d P A 1
H10A H 0.2814 1.0210 1.1323 0.053 Uiso 0.595(7) 1 calc PR A 1
H10B H 0.3760 0.9420 1.0549 0.053 Uiso 0.595(7) 1 calc PR A 1
C11 C 0.509(3) 1.043(4) 1.228(2) 0.057(6) Uani 0.595(7) 1 d P A 1
H11A H 0.5857 0.9845 1.2250 0.068 Uiso 0.595(7) 1 calc PR A 1
H11B H 0.5466 1.1286 1.2068 0.068 Uiso 0.595(7) 1 calc PR A 1
C12 C 0.5071(8) 1.0878(8) 1.3550(6) 0.0442(17) Uani 0.595(7) 1 d P A 1
H12A H 0.6077 1.1476 1.4047 0.053 Uiso 0.595(7) 1 calc PR A 1
H12B H 0.4905 1.0037 1.3835 0.053 Uiso 0.595(7) 1 calc PR A 1
C13 C 0.3801(7) 1.1693(6) 1.3688(5) 0.0357(14) Uani 0.595(7) 1 d P A 1
H13A H 0.3905 1.2502 1.3355 0.043 Uiso 0.595(7) 1 calc PR A 1
H13B H 0.2778 1.1077 1.3268 0.043 Uiso 0.595(7) 1 calc PR A 1
C8A C 0.108(2) 0.7713(18) 1.0514(16) 0.043(4) Uani 0.405(7) 1 d P A 2
H8A1 H 0.0053 0.7875 1.0169 0.052 Uiso 0.405(7) 1 calc PR A 2
H8A2 H 0.1009 0.7269 1.1152 0.052 Uiso 0.405(7) 1 calc PR A 2
C9A C 0.2164(9) 0.9110(7) 1.1064(7) 0.037(2) Uani 0.405(7) 1 d P A 2
H9A1 H 0.1799 0.9661 1.1678 0.044 Uiso 0.405(7) 1 calc PR A 2
H9A2 H 0.2142 0.9615 1.0452 0.044 Uiso 0.405(7) 1 calc PR A 2
C10A C 0.3790(14) 0.9041(13) 1.1611(10) 0.045(3) Uani 0.405(7) 1 d P A 2
H10C H 0.4156 0.8465 1.1011 0.054 Uiso 0.405(7) 1 calc PR A 2
H10D H 0.3834 0.8585 1.2256 0.054 Uiso 0.405(7) 1 calc PR A 2
C11A C 0.490(4) 1.059(5) 1.213(3) 0.042(6) Uani 0.405(7) 1 d P A 2
H11C H 0.5978 1.0505 1.2417 0.051 Uiso 0.405(7) 1 calc PR A 2
H11D H 0.4823 1.1066 1.1499 0.051 Uiso 0.405(7) 1 calc PR A 2
C12A C 0.4467(15) 1.1488(12) 1.3168(10) 0.061(3) Uani 0.405(7) 1 d P A 2
H12C H 0.5167 1.2421 1.3449 0.074 Uiso 0.405(7) 1 calc PR A 2
H12D H 0.3421 1.1625 1.2851 0.074 Uiso 0.405(7) 1 calc PR A 2
C13A C 0.4506(12) 1.0949(10) 1.4167(9) 0.057(3) Uani 0.405(7) 1 d P A 2
H13C H 0.5544 1.0838 1.4548 0.068 Uiso 0.405(7) 1 calc PR A 2
H13D H 0.3770 1.0043 1.3948 0.068 Uiso 0.405(7) 1 calc PR A 2
C14 C 0.2895(4) 1.1905(3) 1.5526(3) 0.0443(8) Uani 1 1 d . A .
H14 H 0.2022 1.1158 1.5165 0.053 Uiso 1 1 calc R . .
C15 C 0.5102(4) 1.3335(4) 1.5817(3) 0.0497(9) Uani 1 1 d . A .
C16 C 0.6462(5) 1.4103(5) 1.5759(4) 0.0804(16) Uani 1 1 d . . .
H16 H 0.6797 1.3880 1.5079 0.097 Uiso 1 1 calc R A .
C17 C 0.7293(4) 1.5199(4) 1.6733(3) 0.0594(11) Uani 1 1 d . A .
H17 H 0.8241 1.5713 1.6735 0.071 Uiso 1 1 calc R . .
C18 C 0.6769(4) 1.5565(3) 1.7714(3) 0.0462(8) Uani 1 1 d . . .
H18 H 0.7362 1.6327 1.8367 0.055 Uiso 1 1 calc R A .
C19 C 0.5404(4) 1.4837(3) 1.7751(3) 0.0432(8) Uani 1 1 d . A .
H19 H 0.5043 1.5100 1.8414 0.052 Uiso 1 1 calc R . .
C20 C 0.4570(3) 1.3707(3) 1.6792(3) 0.0340(7) Uani 1 1 d . A .
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'
N N 0.0061 0.0033 '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'
Zn Zn 0.2839 1.4301 '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
N4 Zn1 N1 106.07(10) 1_544 . ?
N4 Zn1 Cl1 114.45(8) 1_544 . ?
N1 Zn1 Cl1 103.60(8) . . ?
N4 Zn1 Cl2 104.59(8) 1_544 . ?
N1 Zn1 Cl2 110.54(8) . . ?
Cl1 Zn1 Cl2 117.17(4) . . ?
C1 N1 C2 104.9(3) . . ?
C1 N1 Zn1 123.5(2) . . ?
C2 N1 Zn1 130.84(19) . . ?
C1 N2 C7 106.9(2) . . ?
C1 N2 C8A 137.7(6) . . ?
C7 N2 C8A 114.6(6) . . ?
C1 N2 C8 116.2(5) . . ?
C7 N2 C8 136.8(5) . . ?
C8A N2 C8 23.7(6) . . ?
C14 N3 C15 107.2(2) . . ?
C14 N3 C13 124.6(3) . . ?
C15 N3 C13 125.4(3) . . ?
C14 N3 C13A 121.5(4) . . ?
C15 N3 C13A 120.4(4) . . ?
C13 N3 C13A 44.7(4) . . ?
C14 N4 C20 106.2(2) . . ?
C14 N4 Zn1 126.7(2) . 1_566 ?
C20 N4 Zn1 127.13(19) . 1_566 ?
N1 C1 N2 113.5(3) . . ?
N1 C1 H1 123.2 . . ?
N2 C1 H1 123.2 . . ?
C3 C2 C7 121.1(3) . . ?
C3 C2 N1 129.9(3) . . ?
C7 C2 N1 109.0(3) . . ?
C4 C3 C2 117.1(3) . . ?
C4 C3 H3 121.5 . . ?
C2 C3 H3 121.5 . . ?
C3 C4 C5 121.0(3) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 122.4(3) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C5 C6 C7 116.7(3) . . ?
C5 C6 H6 121.6 . . ?
C7 C6 H6 121.6 . . ?
N2 C7 C6 132.6(3) . . ?
N2 C7 C2 105.6(3) . . ?
C6 C7 C2 121.8(3) . . ?
N2 C8 C9 114.1(9) . . ?
N2 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
N2 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C10 C9 C8 115.3(6) . . ?
C10 C9 H9A 108.5 . . ?
C8 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C8 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 108.1(13) . . ?
C9 C10 H10A 110.1 . . ?
C11 C10 H10A 110.1 . . ?
C9 C10 H10B 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
C12 C11 C10 118.0(18) . . ?
C12 C11 H11A 107.8 . . ?
C10 C11 H11A 107.8 . . ?
C12 C11 H11B 107.8 . . ?
C10 C11 H11B 107.8 . . ?
H11A C11 H11B 107.1 . . ?
C11 C12 C13 112.3(13) . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
N3 C13 C12 106.9(5) . . ?
N3 C13 H13A 110.3 . . ?
C12 C13 H13A 110.3 . . ?
N3 C13 H13B 110.3 . . ?
C12 C13 H13B 110.3 . . ?
H13A C13 H13B 108.6 . . ?
C9A C8A N2 117.5(14) . . ?
C9A C8A H8A1 107.9 . . ?
N2 C8A H8A1 107.9 . . ?
C9A C8A H8A2 107.9 . . ?
N2 C8A H8A2 107.9 . . ?
H8A1 C8A H8A2 107.2 . . ?
C8A C9A C10A 114.5(10) . . ?
C8A C9A H9A1 108.6 . . ?
C10A C9A H9A1 108.6 . . ?
C8A C9A H9A2 108.6 . . ?
C10A C9A H9A2 108.6 . . ?
H9A1 C9A H9A2 107.6 . . ?
C9A C10A C11A 111.4(18) . . ?
C9A C10A H10C 109.3 . . ?
C11A C10A H10C 109.3 . . ?
C9A C10A H10D 109.3 . . ?
C11A C10A H10D 109.3 . . ?
H10C C10A H10D 108.0 . . ?
C12A C11A C10A 111(2) . . ?
C12A C11A H11C 109.4 . . ?
C10A C11A H11C 109.4 . . ?
C12A C11A H11D 109.4 . . ?
C10A C11A H11D 109.4 . . ?
H11C C11A H11D 108.0 . . ?
C13A C12A C11A 117.1(19) . . ?
C13A C12A H12C 108.0 . . ?
C11A C12A H12C 108.0 . . ?
C13A C12A H12D 108.0 . . ?
C11A C12A H12D 108.0 . . ?
H12C C12A H12D 107.3 . . ?
C12A C13A N3 100.8(9) . . ?
C12A C13A H13C 111.6 . . ?
N3 C13A H13C 111.6 . . ?
C12A C13A H13D 111.6 . . ?
N3 C13A H13D 111.6 . . ?
H13C C13A H13D 109.4 . . ?
N4 C14 N3 112.5(3) . . ?
N4 C14 H14 123.8 . . ?
N3 C14 H14 123.8 . . ?
C20 C15 N3 105.9(3) . . ?
C20 C15 C16 121.4(3) . . ?
N3 C15 C16 132.6(3) . . ?
C17 C16 C15 117.2(3) . . ?
C17 C16 H16 121.4 . . ?
C15 C16 H16 121.4 . . ?
C16 C17 C18 121.4(3) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C19 C18 C17 121.2(3) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 118.3(3) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
C19 C20 C15 120.4(3) . . ?
C19 C20 N4 131.4(3) . . ?
C15 C20 N4 108.2(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
Zn1 N4 2.015(2) 1_544 ?
Zn1 N1 2.035(2) . ?
Zn1 Cl1 2.2301(11) . ?
Zn1 Cl2 2.2488(14) . ?
N1 C1 1.321(4) . ?
N1 C2 1.394(4) . ?
N2 C1 1.335(4) . ?
N2 C7 1.388(4) . ?
N2 C8A 1.492(19) . ?
N2 C8 1.510(13) . ?
N3 C14 1.340(4) . ?
N3 C15 1.383(4) . ?
N3 C13 1.523(6) . ?
N3 C13A 1.627(10) . ?
N4 C14 1.303(4) . ?
N4 C20 1.397(4) . ?
N4 Zn1 2.015(2) 1_566 ?
C1 H1 0.9400 . ?
C2 C3 1.388(4) . ?
C2 C7 1.393(4) . ?
C3 C4 1.381(4) . ?
C3 H3 0.9400 . ?
C4 C5 1.400(5) . ?
C4 H4 0.9400 . ?
C5 C6 1.360(5) . ?
C5 H5 0.9400 . ?
C6 C7 1.388(5) . ?
C6 H6 0.9400 . ?
C8 C9 1.534(15) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C9 C10 1.513(9) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C10 C11 1.51(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C11 C12 1.50(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 C13 1.536(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C8A C9A 1.48(2) . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C9A C10A 1.488(15) . ?
C9A H9A1 0.9800 . ?
C9A H9A2 0.9800 . ?
C10A C11A 1.61(5) . ?
C10A H10C 0.9800 . ?
C10A H10D 0.9800 . ?
C11A C12A 1.54(4) . ?
C11A H11C 0.9800 . ?
C11A H11D 0.9800 . ?
C12A C13A 1.420(17) . ?
C12A H12C 0.9800 . ?
C12A H12D 0.9800 . ?
C13A H13C 0.9800 . ?
C13A H13D 0.9800 . ?
C14 H14 0.9400 . ?
C15 C20 1.382(4) . ?
C15 C16 1.389(5) . ?
C16 C17 1.368(5) . ?
C16 H16 0.9400 . ?
C17 C18 1.384(4) . ?
C17 H17 0.9400 . ?
C18 C19 1.367(4) . ?
C18 H18 0.9400 . ?
C19 C20 1.378(4) . ?
C19 H19 0.9400 . ?
