#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/12/7151281.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_7151281
loop_
_publ_author_name
'Tu, Shu-Jiang'
'Jiang, Bo'
'Jia, Run-Hong'
'Zhang, Jun-Yong'
'Zhang, Yan'
'Yao, Chang-Sheng'
'Shi, Feng'
_publ_section_title
;
 An efficient one-pot, three-component synthesis of
 indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione
 and quinoline-3-carbonitrile derivatives from enaminones.
;
_journal_issue                   19
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              3664
_journal_page_last               3668
_journal_paper_doi               10.1039/b607575d
_journal_volume                  4
_journal_year                    2006
_chemical_formula_moiety         'C34 H34 N O5.50'
_chemical_formula_sum            'C34 H34 N O5.5'
_chemical_formula_weight         544.62
_chemical_melting_point          472.0(10)
_chemical_name_systematic
;
7,8-dihydro-10-(3,4,5-trimethoxyphenyl)-7,7-dimethyl-5-p-tolyl-
5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.926(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.094(6)
_cell_length_b                   12.755(3)
_cell_length_c                   19.891(5)
_cell_measurement_reflns_used    1509
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.16
_cell_measurement_theta_min      2.188
_cell_volume                     6179(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1999)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1999)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0974
_diffrn_reflns_av_sigmaI/netI    0.1356
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15711
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.9797
_exptl_absorpt_correction_T_min  0.9615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         5381
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1921
_refine_ls_R_factor_gt           0.0731
_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)+(0.1027P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1771
_refine_ls_wR_factor_ref         0.2391
_reflns_number_gt                2112
_reflns_number_total             5381
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607575d.txt
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/adriana/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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '471-473' was changed to '472.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C34 H34 N O5.50'
_cod_database_code               7151281
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
N1 N 0.80371(13) 0.5195(3) 0.35946(16) 0.0425(9) Uani 1 1 d . . .
O1 O 0.61153(13) 0.5437(3) 0.33095(16) 0.0755(11) Uani 1 1 d . . .
O2 O 0.72996(12) 0.7576(3) 0.18020(15) 0.0601(9) Uani 1 1 d . . .
O3 O 0.71910(19) 0.3102(3) 0.08801(19) 0.0872(12) Uani 1 1 d U B .
O4 O 0.61106(17) 0.2947(3) 0.05068(18) 0.0925(13) Uani 1 1 d U . .
O5 O 0.54590(18) 0.4247(4) 0.1004(2) 0.1112(15) Uani 1 1 d U B .
O6 O 1.0000 0.3007(10) 0.2500 0.210(6) Uani 0.725(10) 2 d SP A 1
H1 H 1.0087 0.3411 0.2204 0.252 Uiso 0.725(10) 1 d PR A 1
O6' O 1.0000 0.448(3) 0.2500 0.210(6) Uani 0.275(10) 2 d SP A 2
H2 H 1.0025 0.4884 0.2169 0.252 Uiso 0.275(10) 1 d PR A 2
C1 C 0.75220(17) 0.5035(3) 0.3699(2) 0.0411(11) Uani 1 1 d . . .
C2 C 0.73784(17) 0.4512(3) 0.43060(19) 0.0411(11) Uani 1 1 d . . .
C3 C 0.76821(19) 0.4018(4) 0.4890(2) 0.0535(13) Uani 1 1 d . . .
H3 H 0.8061 0.3951 0.4968 0.064 Uiso 1 1 calc R . .
C4 C 0.7399(2) 0.3622(4) 0.5360(2) 0.0585(13) Uani 1 1 d . . .
H4 H 0.7598 0.3287 0.5756 0.070 Uiso 1 1 calc R . .
C5 C 0.6847(2) 0.3704(4) 0.5265(2) 0.0599(13) Uani 1 1 d . . .
H5 H 0.6673 0.3440 0.5591 0.072 Uiso 1 1 calc R . .
C6 C 0.6550(2) 0.4191(4) 0.4670(2) 0.0608(14) Uani 1 1 d . . .
H6 H 0.6170 0.4240 0.4588 0.073 Uiso 1 1 calc R . .
C7 C 0.68140(17) 0.4599(3) 0.4207(2) 0.0445(11) Uani 1 1 d . . .
C8 C 0.65950(19) 0.5183(4) 0.3545(2) 0.0496(12) Uani 1 1 d . . .
C9 C 0.70627(16) 0.5402(3) 0.32543(19) 0.0411(11) Uani 1 1 d . . .
C10 C 0.70595(15) 0.5906(3) 0.25808(19) 0.0412(11) Uani 1 1 d . . .
H10 H 0.6823 0.6526 0.2534 0.049 Uiso 1 1 calc R . .
C11 C 0.76404(16) 0.6276(3) 0.26144(19) 0.0405(11) Uani 1 1 d . . .
C12 C 0.77045(18) 0.7143(3) 0.2165(2) 0.0421(11) Uani 1 1 d . . .
C13 C 0.82681(16) 0.7531(3) 0.2176(2) 0.0463(12) Uani 1 1 d . . .
H13A H 0.8352 0.8117 0.2495 0.056 Uiso 1 1 calc R . .
H13B H 0.8271 0.7790 0.1718 0.056 Uiso 1 1 calc R . .
C14 C 0.87172(17) 0.6709(4) 0.2387(2) 0.0476(12) Uani 1 1 d . . .
C15 C 0.86603(16) 0.6208(4) 0.3067(2) 0.0491(12) Uani 1 1 d . . .
H15A H 0.8896 0.5596 0.3159 0.059 Uiso 1 1 calc R . .
H15B H 0.8790 0.6703 0.3441 0.059 Uiso 1 1 calc R . .
C16 C 0.80873(16) 0.5887(3) 0.30684(19) 0.0382(10) Uani 1 1 d . . .
C17 C 0.85150(16) 0.4813(4) 0.4101(2) 0.0474(12) Uani 1 1 d U . .
C18 C 0.87370(19) 0.5419(4) 0.4674(2) 0.0610(13) Uani 1 1 d U . .
H18 H 0.8596 0.6081 0.4725 0.073 Uiso 1 1 calc R . .
C19 C 0.9173(2) 0.5022(5) 0.5170(2) 0.0726(16) Uani 1 1 d U . .
H19 H 0.9325 0.5430 0.5556 0.087 Uiso 1 1 calc R . .
C20 C 0.9386(2) 0.4061(5) 0.5116(3) 0.0705(15) Uani 1 1 d U . .
C21 C 0.91634(19) 0.3479(4) 0.4535(3) 0.0732(15) Uani 1 1 d U . .
H21 H 0.9310 0.2822 0.4484 0.088 Uiso 1 1 calc R . .
C22 C 0.87260(17) 0.3842(4) 0.4021(2) 0.0588(13) Uani 1 1 d U . .
H22 H 0.8580 0.3437 0.3631 0.071 Uiso 1 1 calc R . .
C23 C 0.9854(2) 0.3631(6) 0.5680(3) 0.109(2) Uani 1 1 d U . .
H23A H 0.9958 0.4142 0.6042 0.163 Uiso 1 1 calc R . .
H23B H 1.0162 0.3478 0.5489 0.163 Uiso 1 1 calc R . .
H23C H 0.9736 0.3001 0.5866 0.163 Uiso 1 1 calc R . .
C24 C 0.68206(17) 0.5171(3) 0.1977(2) 0.0423(11) Uani 1 1 d . . .
C25 C 0.71465(19) 0.4507(4) 0.1701(2) 0.0502(12) Uani 1 1 d . B .
H25 H 0.7527 0.4537 0.1857 0.060 Uiso 1 1 calc R . .
C26 C 0.6907(2) 0.3792(4) 0.1188(2) 0.0577(13) Uani 1 1 d . . .
C27 C 0.6344(2) 0.3732(4) 0.0966(2) 0.0666(15) Uani 1 1 d . B .
C28 C 0.6018(2) 0.4398(5) 0.1250(3) 0.0708(16) Uani 1 1 d . . .
C29 C 0.62586(18) 0.5123(4) 0.1736(2) 0.0580(13) Uani 1 1 d . B .
H29 H 0.6039 0.5592 0.1905 0.070 Uiso 1 1 calc R . .
C30 C 0.7762(3) 0.3193(5) 0.1032(4) 0.109(2) Uani 1 1 d U . .
H30A H 0.7909 0.2672 0.0778 0.164 Uiso 1 1 calc R B .
H30B H 0.7910 0.3091 0.1519 0.164 Uiso 1 1 calc R . .
H30C H 0.7860 0.3878 0.0902 0.164 Uiso 1 1 calc R . .
C31 C 0.6057(18) 0.3174(16) -0.0213(10) 0.087(6) Uani 0.56(6) 1 d PU B 1
H31A H 0.5894 0.2584 -0.0487 0.130 Uiso 0.56(6) 1 calc PR B 1
H31B H 0.6413 0.3311 -0.0293 0.130 Uiso 0.56(6) 1 calc PR B 1
H31C H 0.5827 0.3778 -0.0341 0.130 Uiso 0.56(6) 1 calc PR B 1
C31' C 0.5779(19) 0.333(3) -0.0163(14) 0.087(7) Uani 0.44(6) 1 d PU B 2
H31D H 0.5632 0.2749 -0.0452 0.131 Uiso 0.44(6) 1 calc PR B 2
H31E H 0.6007 0.3746 -0.0386 0.131 Uiso 0.44(6) 1 calc PR B 2
H31F H 0.5484 0.3759 -0.0086 0.131 Uiso 0.44(6) 1 calc PR B 2
C32 C 0.5112(3) 0.4824(7) 0.1355(4) 0.146(3) Uani 1 1 d U . .
H32A H 0.4734 0.4668 0.1146 0.220 Uiso 1 1 calc R B .
H32B H 0.5175 0.5562 0.1318 0.220 Uiso 1 1 calc R . .
H32C H 0.5197 0.4626 0.1835 0.220 Uiso 1 1 calc R . .
C33 C 0.86638(19) 0.5878(4) 0.1818(2) 0.0673(15) Uani 1 1 d . . .
H33A H 0.8310 0.5549 0.1740 0.101 Uiso 1 1 calc R . .
H33B H 0.8946 0.5359 0.1959 0.101 Uiso 1 1 calc R . .
H33C H 0.8702 0.6206 0.1397 0.101 Uiso 1 1 calc R . .
C34 C 0.92793(18) 0.7216(4) 0.2511(3) 0.0712(15) Uani 1 1 d . . .
H34A H 0.9316 0.7735 0.2869 0.107 Uiso 1 1 calc R . .
H34B H 0.9320 0.7545 0.2092 0.107 Uiso 1 1 calc R . .
H34C H 0.9558 0.6691 0.2650 0.107 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'
N N 0.0061 0.0033 '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'
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
C1 N1 C16 117.7(3) . . ?
C1 N1 C17 119.7(3) . . ?
C16 N1 C17 121.5(3) . . ?
C26 O3 C30 118.0(4) . . ?
C27 O4 C31 115.8(9) . . ?
C27 O4 C31' 114.2(12) . . ?
C31 O4 C31' 30.0(10) . . ?
C28 O5 C32 115.8(5) . . ?
C9 C1 N1 122.2(4) . . ?
C9 C1 C2 110.4(4) . . ?
N1 C1 C2 127.3(3) . . ?
C3 C2 C7 119.7(4) . . ?
C3 C2 C1 133.7(4) . . ?
C7 C2 C1 106.6(3) . . ?
C2 C3 C4 117.5(4) . . ?
C2 C3 H3 121.3 . . ?
C4 C3 H3 121.3 . . ?
C5 C4 C3 123.0(4) . . ?
C5 C4 H4 118.5 . . ?
C3 C4 H4 118.5 . . ?
C4 C5 C6 118.4(4) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C7 C6 C5 120.0(5) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C2 121.3(4) . . ?
C6 C7 C8 130.6(4) . . ?
C2 C7 C8 108.1(4) . . ?
O1 C8 C9 127.6(4) . . ?
O1 C8 C7 125.9(4) . . ?
C9 C8 C7 106.5(4) . . ?
C1 C9 C8 108.4(4) . . ?
C1 C9 C10 123.9(4) . . ?
C8 C9 C10 127.7(4) . . ?
C9 C10 C11 107.4(3) . . ?
C9 C10 C24 111.1(3) . . ?
C11 C10 C24 114.6(3) . . ?
C9 C10 H10 107.9 . . ?
C11 C10 H10 107.9 . . ?
C24 C10 H10 107.9 . . ?
C16 C11 C12 119.5(4) . . ?
C16 C11 C10 123.2(4) . . ?
C12 C11 C10 117.2(3) . . ?
O2 C12 C11 120.3(4) . . ?
O2 C12 C13 120.4(4) . . ?
C11 C12 C13 119.2(4) . . ?
C12 C13 C14 114.3(4) . . ?
C12 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C34 C14 C13 110.4(4) . . ?
C34 C14 C15 108.3(3) . . ?
C13 C14 C15 108.1(3) . . ?
C34 C14 C33 109.1(4) . . ?
C13 C14 C33 110.2(3) . . ?
C15 C14 C33 110.7(4) . . ?
C16 C15 C14 114.2(3) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C11 C16 N1 121.5(4) . . ?
C11 C16 C15 122.7(4) . . ?
N1 C16 C15 115.7(3) . . ?
C22 C17 C18 120.8(4) . . ?
C22 C17 N1 120.0(4) . . ?
C18 C17 N1 119.2(4) . . ?
C17 C18 C19 118.6(5) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 122.3(5) . . ?
C20 C19 H19 118.8 . . ?
C18 C19 H19 118.8 . . ?
C19 C20 C21 118.0(5) . . ?
C19 C20 C23 121.2(6) . . ?
C21 C20 C23 120.8(6) . . ?
C20 C21 C22 121.9(5) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
C17 C22 C21 118.4(5) . . ?
C17 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 119.3(4) . . ?
C29 C24 C10 118.4(4) . . ?
C25 C24 C10 122.1(4) . . ?
C24 C25 C26 120.0(4) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
O3 C26 C27 115.2(5) . . ?
O3 C26 C25 124.7(5) . . ?
C27 C26 C25 120.0(5) . . ?
C26 C27 O4 119.3(6) . . ?
C26 C27 C28 119.6(5) . . ?
O4 C27 C28 120.8(5) . . ?
C29 C28 O5 125.6(6) . . ?
C29 C28 C27 119.8(5) . . ?
O5 C28 C27 114.6(5) . . ?
C28 C29 C24 121.1(5) . . ?
C28 C29 H29 119.4 . . ?
C24 C29 H29 119.4 . . ?
O3 C30 H30A 109.5 . . ?
O3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O4 C31 H31A 109.5 . . ?
O4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O4 C31' H31D 109.5 . . ?
O4 C31' H31E 109.5 . . ?
H31D C31' H31E 109.5 . . ?
O4 C31' H31F 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
O5 C32 H32A 109.5 . . ?
O5 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O5 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C14 C33 H33A 109.5 . . ?
C14 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C14 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C14 C34 H34A 109.5 . . ?
C14 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C14 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 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
N1 C1 1.373(5) . ?
N1 C16 1.398(5) . ?
N1 C17 1.452(5) . ?
O1 C8 1.225(5) . ?
O2 C12 1.227(4) . ?
O3 C26 1.367(6) . ?
O3 C30 1.396(7) . ?
O4 C27 1.387(5) . ?
O4 C31 1.43(2) . ?
O4 C31' 1.47(3) . ?
O5 C28 1.383(6) . ?
O5 C32 1.442(8) . ?
O6 H1 0.8500 . ?
O6' H2 0.8500 . ?
C1 C9 1.356(5) . ?
C1 C2 1.497(5) . ?
C2 C3 1.378(5) . ?
C2 C7 1.387(6) . ?
C3 C4 1.398(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.355(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.384(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.361(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.498(6) . ?
C8 C9 1.454(6) . ?
C9 C10 1.484(5) . ?
C10 C11 1.518(5) . ?
C10 C24 1.528(6) . ?
C10 H10 0.9800 . ?
C11 C16 1.354(5) . ?
C11 C12 1.455(6) . ?
C12 C13 1.494(6) . ?
C13 C14 1.523(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C34 1.517(6) . ?
C14 C15 1.533(6) . ?
C14 C33 1.534(6) . ?
C15 C16 1.496(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 C22 1.371(6) . ?
C17 C18 1.378(6) . ?
C18 C19 1.381(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.353(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.374(7) . ?
C20 C23 1.517(6) . ?
C21 C22 1.387(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C29 1.377(5) . ?
C24 C25 1.380(6) . ?
C25 C26 1.392(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.377(7) . ?
C27 C28 1.390(7) . ?
C28 C29 1.369(7) . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31' H31D 0.9600 . ?
C31' H31E 0.9600 . ?
C31' H31F 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
