#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:10:40 +0200 (Tue 11 de Jul de 2017) $
#$Revision: 198633 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/18/7151839.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_7151839
loop_
_publ_author_name
'Yang, Li'
'Yang, Fei'
'Lan, Jingbo'
'Gao, Ge'
'You, Jingsong'
'Su, Xiaoyu'
_publ_section_title
;
 Rational design of BINOL-based diimidazolyl ligands: homochiral
 channel-like mono-component organic frameworks by
 hydrogen-bond-directed self-assembly.
;
_journal_issue                   8
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              2618
_journal_page_last               2621
_journal_paper_doi               10.1039/c1ob00026h
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C26 H18 N4 O2'
_chemical_formula_sum            'C26 H18 N4 O2'
_chemical_formula_weight         418.44
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   27.513(3)
_cell_length_b                   12.2721(11)
_cell_length_c                   12.3143(11)
_cell_measurement_reflns_used    4437
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      23.097
_cell_measurement_theta_min      2.341
_cell_volume                     4157.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23774
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.81
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.9890
_exptl_absorpt_correction_T_min  0.9525
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.003
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(10)
_refine_ls_extinction_coef       0.022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         4556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.1438
_refine_ls_R_factor_gt           0.0844
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2112
_refine_ls_wR_factor_ref         0.2554
_reflns_number_gt                2584
_reflns_number_total             4556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ob00026h.txt
_cod_data_source_block           yjs8m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constro' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_database_code               7151839
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.84958(14) 1.1114(3) 0.7292(4) 0.0645(12) Uani 1 1 d . . .
H1A H 0.8475 1.0480 0.7500 0.097 Uiso 1 1 calc R . .
O2 O 0.73820(17) 0.9159(3) 0.5939(3) 0.0638(12) Uani 1 1 d . . .
H2A H 0.7403 0.9808 0.5786 0.096 Uiso 1 1 calc R . .
O3 O 0.98939(14) 0.6617(3) 0.7512(4) 0.0733(13) Uani 1 1 d . . .
H3B H 1.0170 0.6369 0.7539 0.110 Uiso 1 1 calc R . .
N1 N 0.84795(17) 1.3219(4) 0.6596(4) 0.0568(13) Uani 1 1 d . . .
N2 N 0.9224(2) 1.3836(5) 0.6843(5) 0.0757(17) Uani 1 1 d . . .
N3 N 0.73166(18) 0.7102(3) 0.6620(4) 0.0561(13) Uani 1 1 d . . .
N4 N 0.7330(2) 0.5822(4) 0.5353(5) 0.0734(15) Uani 1 1 d . . .
N5 N 0.89741(17) 0.7355(4) 0.7593(5) 0.0642(14) Uani 1 1 d . . .
N6 N 0.87222(18) 0.9020(4) 0.7241(6) 0.0718(16) Uani 1 1 d . . .
C1 C 0.8885(2) 1.3192(5) 0.7226(6) 0.0661(18) Uani 1 1 d . . .
H1B H 0.8918 1.2771 0.7849 0.079 Uiso 1 1 calc R . .
C2 C 0.9030(3) 1.4291(6) 0.5923(7) 0.084(2) Uani 1 1 d . . .
H2B H 0.9189 1.4784 0.5474 0.101 Uiso 1 1 calc R . .
C3 C 0.8573(3) 1.3922(6) 0.5766(6) 0.074(2) Uani 1 1 d . . .
H3A H 0.8365 1.4109 0.5202 0.089 Uiso 1 1 calc R . .
C4 C 0.80309(19) 1.2647(4) 0.6774(5) 0.0527(14) Uani 1 1 d . . .
C5 C 0.7600(2) 1.3131(4) 0.6551(5) 0.0564(15) Uani 1 1 d . . .
H5A H 0.7597 1.3849 0.6311 0.068 Uiso 1 1 calc R . .
C6 C 0.7155(2) 1.2572(4) 0.6675(5) 0.0494(13) Uani 1 1 d . . .
C7 C 0.6709(2) 1.3053(5) 0.6414(6) 0.0645(17) Uani 1 1 d . . .
H7A H 0.6706 1.3756 0.6133 0.077 Uiso 1 1 calc R . .
C8 C 0.6285(3) 1.2528(7) 0.6558(7) 0.085(2) Uani 1 1 d . . .
H8A H 0.5994 1.2866 0.6374 0.102 Uiso 1 1 calc R . .
C9 C 0.6284(3) 1.1454(6) 0.6994(7) 0.084(2) Uani 1 1 d . . .
H9A H 0.5991 1.1090 0.7101 0.101 Uiso 1 1 calc R . .
C10 C 0.6711(2) 1.0961(6) 0.7253(6) 0.0682(17) Uani 1 1 d . . .
H10A H 0.6707 1.0262 0.7545 0.082 Uiso 1 1 calc R . .
C11 C 0.7164(2) 1.1501(5) 0.7084(5) 0.0519(14) Uani 1 1 d . . .
C12 C 0.7618(2) 1.0982(4) 0.7309(4) 0.0488(13) Uani 1 1 d . . .
C13 C 0.8047(2) 1.1525(4) 0.7149(5) 0.0519(14) Uani 1 1 d . . .
C14 C 0.7628(2) 0.9818(4) 0.7704(5) 0.0478(13) Uani 1 1 d . . .
C15 C 0.7761(2) 0.9572(5) 0.8780(5) 0.0516(14) Uani 1 1 d . . .
C16 C 0.7918(2) 1.0367(5) 0.9527(5) 0.0658(17) Uani 1 1 d . . .
H16A H 0.7920 1.1096 0.9320 0.079 Uiso 1 1 calc R . .
C17 C 0.8067(3) 1.0096(7) 1.0538(6) 0.082(2) Uani 1 1 d . . .
H17A H 0.8184 1.0634 1.1000 0.099 Uiso 1 1 calc R . .
C18 C 0.8047(3) 0.9036(8) 1.0892(6) 0.096(3) Uani 1 1 d . . .
H18A H 0.8140 0.8871 1.1599 0.115 Uiso 1 1 calc R . .
C19 C 0.7888(3) 0.8202(7) 1.0205(5) 0.077(2) Uani 1 1 d . . .
H19A H 0.7875 0.7485 1.0450 0.093 Uiso 1 1 calc R . .
C20 C 0.7750(2) 0.8464(5) 0.9139(5) 0.0578(15) Uani 1 1 d . . .
C21 C 0.7595(2) 0.7655(5) 0.8395(5) 0.0548(14) Uani 1 1 d . . .
H21A H 0.7578 0.6933 0.8621 0.066 Uiso 1 1 calc R . .
C22 C 0.7474(2) 0.7908(4) 0.7373(5) 0.0516(14) Uani 1 1 d . . .
C23 C 0.7497(2) 0.9015(4) 0.6993(5) 0.0499(13) Uani 1 1 d . . .
C24 C 0.6847(3) 0.6879(5) 0.6319(6) 0.0740(19) Uani 1 1 d . . .
H24A H 0.6569 0.7217 0.6583 0.089 Uiso 1 1 calc R . .
C25 C 0.6864(3) 0.6086(5) 0.5576(6) 0.076(2) Uani 1 1 d . . .
H25A H 0.6594 0.5761 0.5259 0.091 Uiso 1 1 calc R . .
C26 C 0.7601(3) 0.6453(5) 0.6001(6) 0.0689(18) Uani 1 1 d . . .
H26A H 0.7939 0.6446 0.6022 0.083 Uiso 1 1 calc R . .
C27 C 0.8826(2) 0.8314(5) 0.8004(6) 0.0636(17) Uani 1 1 d . . .
H27A H 0.8800 0.8459 0.8744 0.076 Uiso 1 1 calc R . .
C28 C 0.8822(3) 0.8501(7) 0.6285(8) 0.094(3) Uani 1 1 d . . .
H28A H 0.8790 0.8811 0.5600 0.112 Uiso 1 1 calc R . .
C29 C 0.8974(3) 0.7474(7) 0.6478(7) 0.090(3) Uani 1 1 d . . .
H29A H 0.9061 0.6953 0.5966 0.108 Uiso 1 1 calc R . .
C30 C 0.9107(2) 0.6408(5) 0.8203(5) 0.0576(16) Uani 1 1 d . . .
C31 C 0.8771(2) 0.5888(5) 0.8808(6) 0.0716(19) Uani 1 1 d . . .
H31A H 0.8451 0.6133 0.8808 0.086 Uiso 1 1 calc R . .
C32 C 0.8900(2) 0.4974(6) 0.9442(6) 0.0731(19) Uani 1 1 d . . .
C33 C 0.8541(3) 0.4377(8) 1.0031(9) 0.121(4) Uani 1 1 d . . .
H33A H 0.8218 0.4604 1.0023 0.146 Uiso 1 1 calc R . .
C34 C 0.8673(4) 0.3460(9) 1.0614(11) 0.144(5) Uani 1 1 d . . .
H34A H 0.8441 0.3058 1.0990 0.173 Uiso 1 1 calc R . .
C35 C 0.9163(4) 0.3147(9) 1.0629(10) 0.144(5) Uani 1 1 d . . .
H35A H 0.9252 0.2545 1.1042 0.173 Uiso 1 1 calc R . .
C36 C 0.9508(3) 0.3680(6) 1.0072(7) 0.089(2) Uani 1 1 d . . .
H36A H 0.9826 0.3425 1.0086 0.106 Uiso 1 1 calc R . .
C37 C 0.9395(2) 0.4623(5) 0.9464(6) 0.0644(17) Uani 1 1 d . . .
C38 C 0.97408(19) 0.5181(4) 0.8814(5) 0.0524(14) Uani 1 1 d . . .
C39 C 0.96048(19) 0.6052(4) 0.8182(5) 0.0524(14) Uani 1 1 d . . .
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 0.0000 '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 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0000 '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
C13 O1 H1A 109.5 . . ?
C23 O2 H2A 109.5 . . ?
C39 O3 H3B 109.5 . . ?
C1 N1 C3 106.7(5) . . ?
C1 N1 C4 127.3(5) . . ?
C3 N1 C4 125.9(5) . . ?
C1 N2 C2 105.3(6) . . ?
C26 N3 C24 106.0(5) . . ?
C26 N3 C22 126.9(5) . . ?
C24 N3 C22 126.9(5) . . ?
C26 N4 C25 105.6(6) . . ?
C27 N5 C29 106.4(6) . . ?
C27 N5 C30 126.2(6) . . ?
C29 N5 C30 127.5(6) . . ?
C27 N6 C28 105.4(5) . . ?
N2 C1 N1 111.4(6) . . ?
N2 C1 H1B 124.3 . . ?
N1 C1 H1B 124.3 . . ?
C3 C2 N2 110.2(7) . . ?
C3 C2 H2B 124.9 . . ?
N2 C2 H2B 124.9 . . ?
C2 C3 N1 106.3(6) . . ?
C2 C3 H3A 126.8 . . ?
N1 C3 H3A 126.8 . . ?
C5 C4 N1 120.4(5) . . ?
C5 C4 C13 120.5(5) . . ?
N1 C4 C13 119.0(5) . . ?
C4 C5 C6 121.6(5) . . ?
C4 C5 H5A 119.2 . . ?
C6 C5 H5A 119.2 . . ?
C7 C6 C11 119.4(5) . . ?
C7 C6 C5 122.1(5) . . ?
C11 C6 C5 118.5(5) . . ?
C8 C7 C6 121.9(6) . . ?
C8 C7 H7A 119.0 . . ?
C6 C7 H7A 119.0 . . ?
C7 C8 C9 119.7(6) . . ?
C7 C8 H8A 120.2 . . ?
C9 C8 H8A 120.2 . . ?
C10 C9 C8 120.0(7) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.8(6) . . ?
C9 C10 H10A 119.6 . . ?
C11 C10 H10A 119.6 . . ?
C6 C11 C10 118.1(5) . . ?
C6 C11 C12 120.0(5) . . ?
C10 C11 C12 121.9(5) . . ?
C13 C12 C11 120.6(5) . . ?
C13 C12 C14 119.4(5) . . ?
C11 C12 C14 120.0(5) . . ?
O1 C13 C12 126.1(5) . . ?
O1 C13 C4 115.2(5) . . ?
C12 C13 C4 118.7(5) . . ?
C23 C14 C15 121.1(5) . . ?
C23 C14 C12 118.1(5) . . ?
C15 C14 C12 120.7(5) . . ?
C16 C15 C14 123.1(5) . . ?
C16 C15 C20 117.6(5) . . ?
C14 C15 C20 119.4(5) . . ?
C17 C16 C15 121.6(7) . . ?
C17 C16 H16A 119.2 . . ?
C15 C16 H16A 119.2 . . ?
C16 C17 C18 120.9(8) . . ?
C16 C17 H17A 119.5 . . ?
C18 C17 H17A 119.5 . . ?
C17 C18 C19 120.9(7) . . ?
C17 C18 H18A 119.5 . . ?
C19 C18 H18A 119.5 . . ?
C18 C19 C20 118.9(7) . . ?
C18 C19 H19A 120.6 . . ?
C20 C19 H19A 120.6 . . ?
C19 C20 C21 121.7(6) . . ?
C19 C20 C15 120.1(6) . . ?
C21 C20 C15 118.2(5) . . ?
C22 C21 C20 121.4(5) . . ?
C22 C21 H21A 119.3 . . ?
C20 C21 H21A 119.3 . . ?
C21 C22 N3 121.9(5) . . ?
C21 C22 C23 121.0(5) . . ?
N3 C22 C23 117.2(5) . . ?
O2 C23 C14 125.7(5) . . ?
O2 C23 C22 115.3(5) . . ?
C14 C23 C22 118.9(5) . . ?
C25 C24 N3 107.3(6) . . ?
C25 C24 H24A 126.3 . . ?
N3 C24 H24A 126.3 . . ?
C24 C25 N4 110.3(6) . . ?
C24 C25 H25A 124.9 . . ?
N4 C25 H25A 124.9 . . ?
N4 C26 N3 110.7(6) . . ?
N4 C26 H26A 124.6 . . ?
N3 C26 H26A 124.6 . . ?
N6 C27 N5 112.0(6) . . ?
N6 C27 H27A 124.0 . . ?
N5 C27 H27A 124.0 . . ?
C29 C28 N6 110.2(8) . . ?
C29 C28 H28A 124.9 . . ?
N6 C28 H28A 124.9 . . ?
C28 C29 N5 105.9(7) . . ?
C28 C29 H29A 127.0 . . ?
N5 C29 H29A 127.0 . . ?
C31 C30 N5 120.0(5) . . ?
C31 C30 C39 121.2(5) . . ?
N5 C30 C39 118.7(5) . . ?
C30 C31 C32 120.6(5) . . ?
C30 C31 H31A 119.7 . . ?
C32 C31 H31A 119.7 . . ?
C31 C32 C37 119.3(6) . . ?
C31 C32 C33 120.9(7) . . ?
C37 C32 C33 119.8(7) . . ?
C34 C33 C32 119.8(8) . . ?
C34 C33 H33A 120.1 . . ?
C32 C33 H33A 120.1 . . ?
C33 C34 C35 118.9(9) . . ?
C33 C34 H34A 120.5 . . ?
C35 C34 H34A 120.5 . . ?
C36 C35 C34 122.7(9) . . ?
C36 C35 H35A 118.7 . . ?
C34 C35 H35A 118.7 . . ?
C35 C36 C37 121.0(7) . . ?
C35 C36 H36A 119.5 . . ?
C37 C36 H36A 119.5 . . ?
C36 C37 C38 123.1(6) . . ?
C36 C37 C32 117.8(6) . . ?
C38 C37 C32 118.9(6) . . ?
C39 C38 C37 120.8(5) . . ?
C39 C38 C38 119.4(5) . 2_765 ?
C37 C38 C38 119.8(5) . 2_765 ?
O3 C39 C38 126.2(5) . . ?
O3 C39 C30 114.8(5) . . ?
C38 C39 C30 119.1(5) . . ?
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
O1 C13 1.345(6) . ?
O1 H1A 0.8200 . ?
O2 C23 1.347(7) . ?
O2 H2A 0.8200 . ?
O3 C39 1.339(6) . ?
O3 H3B 0.8200 . ?
N1 C1 1.359(8) . ?
N1 C3 1.362(8) . ?
N1 C4 1.437(7) . ?
N2 C1 1.311(9) . ?
N2 C2 1.371(9) . ?
N3 C26 1.352(8) . ?
N3 C24 1.371(8) . ?
N3 C22 1.424(7) . ?
N4 C26 1.339(8) . ?
N4 C25 1.351(9) . ?
N5 C27 1.345(8) . ?
N5 C29 1.380(10) . ?
N5 C30 1.431(8) . ?
N6 C27 1.310(8) . ?
N6 C28 1.367(10) . ?
C1 H1B 0.9300 . ?
C2 C3 1.349(9) . ?
C2 H2B 0.9300 . ?
C3 H3A 0.9300 . ?
C4 C5 1.355(8) . ?
C4 C13 1.452(8) . ?
C5 C6 1.411(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.398(8) . ?
C6 C11 1.408(8) . ?
C7 C8 1.344(10) . ?
C7 H7A 0.9300 . ?
C8 C9 1.423(11) . ?
C8 H8A 0.9300 . ?
C9 C10 1.358(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.427(8) . ?
C10 H10A 0.9300 . ?
C11 C12 1.431(7) . ?
C12 C13 1.369(8) . ?
C12 C14 1.510(7) . ?
C14 C23 1.367(8) . ?
C14 C15 1.407(8) . ?
C15 C16 1.410(8) . ?
C15 C20 1.430(8) . ?
C16 C17 1.352(10) . ?
C16 H16A 0.9300 . ?
C17 C18 1.373(11) . ?
C17 H17A 0.9300 . ?
C18 C19 1.398(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.405(9) . ?
C19 H19A 0.9300 . ?
C20 C21 1.417(8) . ?
C21 C22 1.338(8) . ?
C21 H21A 0.9300 . ?
C22 C23 1.439(7) . ?
C24 C25 1.336(10) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C29 1.348(11) . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C30 C31 1.347(9) . ?
C30 C39 1.439(7) . ?
C31 C32 1.413(10) . ?
C31 H31A 0.9300 . ?
C32 C37 1.427(8) . ?
C32 C33 1.429(10) . ?
C33 C34 1.384(13) . ?
C33 H33A 0.9300 . ?
C34 C35 1.401(14) . ?
C34 H34A 0.9300 . ?
C35 C36 1.342(11) . ?
C35 H35A 0.9300 . ?
C36 C37 1.414(9) . ?
C36 H36A 0.9300 . ?
C37 C38 1.419(8) . ?
C38 C39 1.374(8) . ?
C38 C38 1.494(10) 2_765 ?
