#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/68/7006872.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_7006872
loop_
_publ_author_name
'Weber, Lothar'
'Domke, Imme'
'Schmidt, Christian'
'Braun, Thomas'
'Stammler, Hans-Georg'
'Neumann, Beate'
_publ_section_title
;
 Syntheses, structures, luminescence and electrochemistry of benzene-
 and biphenyl-centered bis- and tris-1,3,2-diazaboroles and
 -1,3,2-diazaborolidines.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2127
_journal_page_last               2132
_journal_paper_doi               10.1039/b514920g
_journal_year                    2006
_chemical_formula_moiety         'C26 H48 B2 N4'
_chemical_formula_sum            'C26 H48 B2 N4'
_chemical_formula_weight         438.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 114.7080(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5590(3)
_cell_length_b                   26.7150(10)
_cell_length_c                   10.7350(4)
_cell_measurement_reflns_used    6298
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2750.94(17)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'KappaCCD '
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.061
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            29214
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_T_max  0.9939
_exptl_absorpt_correction_T_min  0.9819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.058
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.252
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         6275
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0706P)²+0.0680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                3775
_reflns_number_total             6275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514920g.txt
_cod_data_source_block           compound4a
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2750.94(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7006872
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
B1 B 0.73468(17) 0.06272(7) 0.74824(18) 0.0215(4) Uani 1 1 d . . .
B2 B 0.69752(18) 0.28740(7) 0.74066(18) 0.0226(4) Uani 1 1 d . . .
N1 N 0.61392(12) 0.03172(5) 0.71523(13) 0.0225(3) Uani 1 1 d . . .
N2 N 0.85467(13) 0.03146(5) 0.78144(13) 0.0231(3) Uani 1 1 d . . .
N3 N 0.57062(13) 0.31343(5) 0.71441(14) 0.0268(3) Uani 1 1 d . . .
N4 N 0.80528(12) 0.32365(5) 0.76102(13) 0.0225(3) Uani 1 1 d . . .
C1 C 0.66139(16) -0.02032(6) 0.74819(17) 0.0263(4) Uani 1 1 d . . .
H1A H 0.5989 -0.0435 0.6771 0.032 Uiso 1 1 calc R . .
H1B H 0.6644 -0.0302 0.8382 0.032 Uiso 1 1 calc R . .
C2 C 0.80687(16) -0.02062(6) 0.75154(17) 0.0267(4) Uani 1 1 d . . .
H2A H 0.8692 -0.0434 0.8239 0.032 Uiso 1 1 calc R . .
H2B H 0.8038 -0.0314 0.6621 0.032 Uiso 1 1 calc R . .
C3 C 0.47583(15) 0.04450(6) 0.71291(17) 0.0259(4) Uani 1 1 d . . .
C4 C 0.37431(16) 0.00125(6) 0.65072(19) 0.0340(4) Uani 1 1 d . . .
H4A H 0.3739 -0.0080 0.5623 0.051 Uiso 1 1 calc R . .
H4B H 0.2804 0.0116 0.6371 0.051 Uiso 1 1 calc R . .
H4C H 0.4035 -0.0276 0.7129 0.051 Uiso 1 1 calc R . .
C5 C 0.49198(18) 0.05447(7) 0.85948(18) 0.0377(5) Uani 1 1 d . . .
H5A H 0.5336 0.0251 0.9168 0.057 Uiso 1 1 calc R . .
H5B H 0.4002 0.0610 0.8584 0.057 Uiso 1 1 calc R . .
H5C H 0.5524 0.0836 0.8970 0.057 Uiso 1 1 calc R . .
C6 C 0.41487(16) 0.09095(6) 0.62509(18) 0.0324(4) Uani 1 1 d . . .
H6A H 0.4722 0.1202 0.6691 0.049 Uiso 1 1 calc R . .
H6B H 0.3195 0.0964 0.6157 0.049 Uiso 1 1 calc R . .
H6C H 0.4138 0.0861 0.5342 0.049 Uiso 1 1 calc R . .
C7 C 0.99321(15) 0.04363(6) 0.78379(16) 0.0257(4) Uani 1 1 d . . .
C8 C 1.04930(17) 0.09245(6) 0.86161(19) 0.0353(4) Uani 1 1 d . . .
H8A H 0.9909 0.1204 0.8100 0.053 Uiso 1 1 calc R . .
H8B H 1.1453 0.0977 0.8726 0.053 Uiso 1 1 calc R . .
H8C H 1.0477 0.0905 0.9521 0.053 Uiso 1 1 calc R . .
C9 C 0.97983(17) 0.04909(7) 0.63677(18) 0.0374(5) Uani 1 1 d . . .
H9A H 0.9462 0.0176 0.5872 0.056 Uiso 1 1 calc R . .
H9B H 1.0711 0.0573 0.6387 0.056 Uiso 1 1 calc R . .
H9C H 0.9137 0.0759 0.5903 0.056 Uiso 1 1 calc R . .
C10 C 1.09700(16) 0.00192(6) 0.85664(18) 0.0313(4) Uani 1 1 d . . .
H10A H 1.0991 -0.0036 0.9477 0.047 Uiso 1 1 calc R . .
H10B H 1.1901 0.0116 0.8661 0.047 Uiso 1 1 calc R . .
H10C H 1.0683 -0.0290 0.8028 0.047 Uiso 1 1 calc R . .
C11 C 0.73312(14) 0.12165(6) 0.74798(15) 0.0212(3) Uani 1 1 d . . .
C12 C 0.75678(15) 0.14924(6) 0.86702(16) 0.0221(3) Uani 1 1 d . . .
H12 H 0.7793 0.1320 0.9510 0.027 Uiso 1 1 calc R . .
C13 C 0.74820(15) 0.20086(6) 0.86527(16) 0.0231(4) Uani 1 1 d . . .
H13 H 0.7650 0.2180 0.9482 0.028 Uiso 1 1 calc R . .
C14 C 0.71560(15) 0.22866(6) 0.74544(16) 0.0219(3) Uani 1 1 d . . .
C15 C 0.69432(15) 0.20122(6) 0.62686(16) 0.0233(4) Uani 1 1 d . . .
H15 H 0.6736 0.2186 0.5434 0.028 Uiso 1 1 calc R . .
C16 C 0.70268(15) 0.14940(6) 0.62818(16) 0.0228(4) Uani 1 1 d . . .
H16 H 0.6873 0.1323 0.5456 0.027 Uiso 1 1 calc R . .
C17 C 0.59308(16) 0.36688(6) 0.70048(19) 0.0348(4) Uani 1 1 d . . .
H17A H 0.5479 0.3874 0.7472 0.042 Uiso 1 1 calc R . .
H17B H 0.5551 0.3767 0.6027 0.042 Uiso 1 1 calc R . .
C18 C 0.74956(15) 0.37338(6) 0.76799(17) 0.0280(4) Uani 1 1 d . . .
H18A H 0.7800 0.3984 0.7181 0.034 Uiso 1 1 calc R . .
H18B H 0.7808 0.3843 0.8644 0.034 Uiso 1 1 calc R . .
C19 C 0.42343(16) 0.29730(6) 0.66524(18) 0.0315(4) Uani 1 1 d . . .
C20 C 0.4119(2) 0.24295(8) 0.6954(3) 0.0779(9) Uani 1 1 d . . .
H20A H 0.4453 0.2222 0.6400 0.117 Uiso 1 1 calc R . .
H20B H 0.3143 0.2348 0.6729 0.117 Uiso 1 1 calc R . .
H20C H 0.4686 0.2364 0.7929 0.117 Uiso 1 1 calc R . .
C21 C 0.3521(2) 0.32802(9) 0.7359(3) 0.0878(10) Uani 1 1 d . . .
H21A H 0.4036 0.3248 0.8355 0.132 Uiso 1 1 calc R . .
H21B H 0.2565 0.3159 0.7083 0.132 Uiso 1 1 calc R . .
H21C H 0.3499 0.3633 0.7097 0.132 Uiso 1 1 calc R . .
C22 C 0.3494(3) 0.30532(12) 0.5126(3) 0.1002(11) Uani 1 1 d . . .
H22A H 0.3554 0.3407 0.4916 0.150 Uiso 1 1 calc R . .
H22B H 0.2513 0.2957 0.4808 0.150 Uiso 1 1 calc R . .
H22C H 0.3934 0.2848 0.4661 0.150 Uiso 1 1 calc R . .
C23 C 0.95939(15) 0.31776(6) 0.83314(17) 0.0245(4) Uani 1 1 d . . .
C24 C 1.00210(18) 0.30942(7) 0.98638(18) 0.0390(5) Uani 1 1 d . . .
H24A H 0.9692 0.3375 1.0238 0.058 Uiso 1 1 calc R . .
H24B H 1.1039 0.3072 1.0338 0.058 Uiso 1 1 calc R . .
H24C H 0.9606 0.2782 0.9998 0.058 Uiso 1 1 calc R . .
C25 C 1.03174(17) 0.36473(6) 0.81317(18) 0.0334(4) Uani 1 1 d . . .
H25A H 0.9994 0.3715 0.7150 0.050 Uiso 1 1 calc R . .
H25B H 1.1328 0.3595 0.8541 0.050 Uiso 1 1 calc R . .
H25C H 1.0093 0.3933 0.8576 0.050 Uiso 1 1 calc R . .
C26 C 1.00670(16) 0.27360(7) 0.77298(19) 0.0374(5) Uani 1 1 d . . .
H26A H 0.9661 0.2426 0.7890 0.056 Uiso 1 1 calc R . .
H26B H 1.1086 0.2712 0.8171 0.056 Uiso 1 1 calc R . .
H26C H 0.9758 0.2786 0.6742 0.056 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'
B B 0.0013 0.0007 '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'
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
N2 B1 N1 109.09(14) . . ?
N2 B1 C11 126.22(14) . . ?
N1 B1 C11 124.69(13) . . ?
N3 B2 N4 108.61(14) . . ?
N3 B2 C14 125.48(14) . . ?
N4 B2 C14 125.91(14) . . ?
B1 N1 C1 107.94(12) . . ?
B1 N1 C3 129.43(13) . . ?
C1 N1 C3 117.03(11) . . ?
B1 N2 C2 108.09(12) . . ?
B1 N2 C7 129.61(13) . . ?
C2 N2 C7 117.13(11) . . ?
B2 N3 C17 108.41(12) . . ?
B2 N3 C19 133.34(14) . . ?
C17 N3 C19 115.95(12) . . ?
B2 N4 C18 107.97(12) . . ?
B2 N4 C23 129.07(13) . . ?
C18 N4 C23 116.32(12) . . ?
N1 C1 C2 104.47(12) . . ?
N1 C1 H1A 110.9 . . ?
C2 C1 H1A 110.9 . . ?
N1 C1 H1B 110.9 . . ?
C2 C1 H1B 110.9 . . ?
H1A C1 H1B 108.9 . . ?
N2 C2 C1 104.57(12) . . ?
N2 C2 H2A 110.8 . . ?
C1 C2 H2A 110.8 . . ?
N2 C2 H2B 110.8 . . ?
C1 C2 H2B 110.8 . . ?
H2A C2 H2B 108.9 . . ?
N1 C3 C4 109.74(13) . . ?
N1 C3 C6 110.72(12) . . ?
C4 C3 C6 107.88(13) . . ?
N1 C3 C5 109.56(13) . . ?
C4 C3 C5 109.67(13) . . ?
C6 C3 C5 109.24(14) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 110.44(12) . . ?
N2 C7 C10 109.80(13) . . ?
C8 C7 C10 108.12(13) . . ?
N2 C7 C9 109.68(13) . . ?
C8 C7 C9 109.25(14) . . ?
C10 C7 C9 109.52(13) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 116.29(14) . . ?
C16 C11 B1 121.95(13) . . ?
C12 C11 B1 121.71(13) . . ?
C13 C12 C11 121.73(14) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C12 C13 C14 122.16(14) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
C13 C14 C15 116.22(14) . . ?
C13 C14 B2 122.53(13) . . ?
C15 C14 B2 121.21(14) . . ?
C16 C15 C14 121.78(14) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C11 121.81(14) . . ?
C15 C16 H16 119.1 . . ?
C11 C16 H16 119.1 . . ?
N3 C17 C18 104.72(13) . . ?
N3 C17 H17A 110.8 . . ?
C18 C17 H17A 110.8 . . ?
N3 C17 H17B 110.8 . . ?
C18 C17 H17B 110.8 . . ?
H17A C17 H17B 108.9 . . ?
N4 C18 C17 104.64(13) . . ?
N4 C18 H18A 110.8 . . ?
C17 C18 H18A 110.8 . . ?
N4 C18 H18B 110.8 . . ?
C17 C18 H18B 110.8 . . ?
H18A C18 H18B 108.9 . . ?
N3 C19 C20 111.81(14) . . ?
N3 C19 C22 109.64(15) . . ?
C20 C19 C22 108.63(19) . . ?
N3 C19 C21 109.36(14) . . ?
C20 C19 C21 108.26(18) . . ?
C22 C19 C21 109.1(2) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C26 109.97(13) . . ?
N4 C23 C24 109.96(12) . . ?
C26 C23 C24 109.95(14) . . ?
N4 C23 C25 109.96(12) . . ?
C26 C23 C25 107.69(13) . . ?
C24 C23 C25 109.28(14) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
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
B1 N2 1.433(2) . ?
B1 N1 1.435(2) . ?
B1 C11 1.574(2) . ?
B2 N3 1.429(2) . ?
B2 N4 1.440(2) . ?
B2 C14 1.579(2) . ?
N1 C1 1.4701(19) . ?
N1 C3 1.4875(19) . ?
N2 C2 1.4689(19) . ?
N2 C7 1.4884(18) . ?
N3 C17 1.4654(19) . ?
N3 C19 1.481(2) . ?
N4 C18 1.4674(19) . ?
N4 C23 1.4896(19) . ?
C1 C2 1.521(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.527(2) . ?
C3 C6 1.528(2) . ?
C3 C5 1.533(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.528(2) . ?
C7 C10 1.529(2) . ?
C7 C9 1.532(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.400(2) . ?
C11 C12 1.404(2) . ?
C12 C13 1.381(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.398(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.403(2) . ?
C15 C16 1.387(2) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.511(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.503(3) . ?
C19 C22 1.507(3) . ?
C19 C21 1.515(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.526(2) . ?
C23 C24 1.529(2) . ?
C23 C25 1.530(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21144599
