#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:09:59 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178423 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/44/4024491.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_4024491
loop_
_publ_author_name
'Shinsuke Komagawa'
'Kouhei Takeuchi'
'Ikuo Sotome'
'Isao Azumaya'
'Hyuma Masu'
'Ryu Yamasaki'
'Shinichi Saito'
_publ_contact_author_address
;Department of Chemistry, 
Faculty of Science Tokyo University of Science
1-3 Kagurazaka,Shinjuku, Tokyo 162-8601, JAPAN
;
_publ_contact_author_email       ssaito@rs.kagu.tus.ac.jp
_publ_contact_author_fax         +81-3-3235-2214
_publ_contact_author_name        'Shinichi Saito'
_publ_contact_author_phone       +81-3-5228-8715
_publ_section_title
;
Synthesis of Vinylcycloheptadienes by the Nickel-Catalyzed Three-Component
[3 + 2 + 2] Cocyclization. Application to the Synthesis of Polycyclic
Compounds
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3323
_journal_page_last               3329
_journal_paper_doi               10.1021/jo900189g
_journal_volume                  74
_journal_year                    2009
_chemical_formula_sum            'C36 H33 N O4'
_chemical_formula_weight         543.63
_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                 101.6460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8175(10)
_cell_length_b                   8.5654(7)
_cell_length_c                   28.864(3)
_cell_measurement_reflns_used    3655
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.59
_cell_measurement_theta_min      2.48
_cell_volume                     2861.5(4)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 '
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13738
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.22
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.9759
_exptl_absorpt_correction_T_min  0.9681
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.050
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         5821
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0632P)²+0.7271P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                4431
_reflns_number_total             5821
_reflns_threshold_expression     >2sigma
_cod_data_source_file            jo900189g_si_001.cif
_cod_data_source_block           a0811221mas(endo14c)
_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_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4024491
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
C1 C 0.62282(14) 0.4573(2) 0.18978(6) 0.0263(4) Uani 1 1 d . . .
C2 C 0.52816(14) 0.5795(2) 0.18710(6) 0.0267(4) Uani 1 1 d . . .
H2 H 0.5630 0.6587 0.2113 0.032 Uiso 1 1 calc R . .
C3 C 0.50074(14) 0.67360(19) 0.14083(6) 0.0251(4) Uani 1 1 d . . .
C4 C 0.57832(13) 0.65549(19) 0.10603(6) 0.0243(4) Uani 1 1 d . . .
C5 C 0.59630(13) 0.51351(19) 0.08902(5) 0.0235(4) Uani 1 1 d . . .
C6 C 0.53834(14) 0.3731(2) 0.10544(6) 0.0265(4) Uani 1 1 d . . .
H6A H 0.5360 0.2861 0.0827 0.032 Uiso 1 1 calc R . .
H6B H 0.4581 0.3991 0.1079 0.032 Uiso 1 1 calc R . .
C7 C 0.60906(15) 0.3255(2) 0.15421(6) 0.0292(4) Uani 1 1 d . . .
H7A H 0.5704 0.2366 0.1665 0.035 Uiso 1 1 calc R . .
H7B H 0.6865 0.2902 0.1505 0.035 Uiso 1 1 calc R . .
C8 C 0.71616(14) 0.4758(2) 0.22410(6) 0.0280(4) Uani 1 1 d . . .
H8 H 0.7167 0.5637 0.2442 0.034 Uiso 1 1 calc R . .
C9 C 0.81806(15) 0.3738(2) 0.23381(6) 0.0308(4) Uani 1 1 d . . .
C10 C 1.01097(17) 0.3525(3) 0.27782(9) 0.0598(7) Uani 1 1 d . . .
H10A H 1.0531 0.3867 0.3094 0.072 Uiso 1 1 calc R . .
H10B H 0.9921 0.2404 0.2799 0.072 Uiso 1 1 calc R . .
C11 C 1.0835(2) 0.3730(3) 0.24389(11) 0.0764(8) Uani 1 1 d . . .
H11A H 1.0425 0.3371 0.2128 0.115 Uiso 1 1 calc R . .
H11B H 1.1546 0.3121 0.2537 0.115 Uiso 1 1 calc R . .
H11C H 1.1030 0.4838 0.2421 0.115 Uiso 1 1 calc R . .
C12 C 0.41877(15) 0.5208(2) 0.20521(6) 0.0305(4) Uani 1 1 d . . .
H12 H 0.4387 0.5137 0.2405 0.037 Uiso 1 1 calc R . .
C13 C 0.31856(15) 0.6359(2) 0.19125(6) 0.0319(4) Uani 1 1 d . . .
H13 H 0.2786 0.6473 0.2185 0.038 Uiso 1 1 calc R . .
C14 C 0.35328(16) 0.7974(2) 0.17705(6) 0.0332(4) Uani 1 1 d . . .
H14A H 0.2832 0.8615 0.1663 0.040 Uiso 1 1 calc R . .
H14B H 0.4014 0.8495 0.2048 0.040 Uiso 1 1 calc R . .
C15 C 0.42017(14) 0.7857(2) 0.13781(6) 0.0282(4) Uani 1 1 d . . .
C16 C 0.39024(16) 0.9049(2) 0.09908(7) 0.0351(4) Uani 1 1 d . . .
H16A H 0.4163 1.0082 0.1114 0.053 Uiso 1 1 calc R . .
H16B H 0.3064 0.9065 0.0875 0.053 Uiso 1 1 calc R . .
H16C H 0.4285 0.8778 0.0731 0.053 Uiso 1 1 calc R . .
C17 C 0.36708(15) 0.3665(2) 0.18589(6) 0.0299(4) Uani 1 1 d . . .
C18 C 0.23705(15) 0.5556(2) 0.15103(6) 0.0320(4) Uani 1 1 d . . .
C19 C 0.20280(14) 0.2805(2) 0.12193(6) 0.0283(4) Uani 1 1 d . . .
C20 C 0.19490(15) 0.2900(2) 0.07359(6) 0.0331(4) Uani 1 1 d . . .
H20 H 0.2326 0.3720 0.0605 0.040 Uiso 1 1 calc R . .
C21 C 0.13188(16) 0.1794(2) 0.04441(7) 0.0388(5) Uani 1 1 d . . .
H21 H 0.1250 0.1866 0.0111 0.047 Uiso 1 1 calc R . .
C22 C 0.07894(16) 0.0584(2) 0.06341(7) 0.0411(5) Uani 1 1 d . . .
H22 H 0.0360 -0.0177 0.0432 0.049 Uiso 1 1 calc R . .
C23 C 0.08848(16) 0.0480(2) 0.11182(7) 0.0417(5) Uani 1 1 d . . .
H23 H 0.0527 -0.0359 0.1249 0.050 Uiso 1 1 calc R . .
C24 C 0.15004(15) 0.1595(2) 0.14131(7) 0.0360(4) Uani 1 1 d . . .
H24 H 0.1561 0.1530 0.1746 0.043 Uiso 1 1 calc R . .
C25 C 0.64085(13) 0.79688(19) 0.09449(6) 0.0256(4) Uani 1 1 d . . .
C26 C 0.64283(15) 0.8386(2) 0.04790(6) 0.0317(4) Uani 1 1 d . . .
H26 H 0.6020 0.7771 0.0226 0.038 Uiso 1 1 calc R . .
C27 C 0.70361(16) 0.9683(2) 0.03824(7) 0.0367(4) Uani 1 1 d . . .
H27 H 0.7022 0.9972 0.0064 0.044 Uiso 1 1 calc R . .
C28 C 0.76631(16) 1.0564(2) 0.07463(7) 0.0379(4) Uani 1 1 d . . .
H28 H 0.8096 1.1439 0.0679 0.045 Uiso 1 1 calc R . .
C29 C 0.76564(15) 1.0165(2) 0.12087(7) 0.0353(4) Uani 1 1 d . . .
H29 H 0.8091 1.0763 0.1460 0.042 Uiso 1 1 calc R . .
C30 C 0.70167(14) 0.8894(2) 0.13071(6) 0.0297(4) Uani 1 1 d . . .
H30 H 0.6994 0.8652 0.1626 0.036 Uiso 1 1 calc R . .
C31 C 0.68708(13) 0.47960(19) 0.06125(6) 0.0242(4) Uani 1 1 d . . .
C32 C 0.65978(15) 0.41140(19) 0.01668(6) 0.0279(4) Uani 1 1 d . . .
H32 H 0.5814 0.3886 0.0031 0.033 Uiso 1 1 calc R . .
C33 C 0.74517(16) 0.3762(2) -0.00819(6) 0.0331(4) Uani 1 1 d . . .
H33 H 0.7250 0.3319 -0.0389 0.040 Uiso 1 1 calc R . .
C34 C 0.86007(16) 0.4055(2) 0.01174(7) 0.0358(4) Uani 1 1 d . . .
H34 H 0.9187 0.3805 -0.0052 0.043 Uiso 1 1 calc R . .
C35 C 0.88910(15) 0.4711(2) 0.05616(7) 0.0360(4) Uani 1 1 d . . .
H35 H 0.9678 0.4904 0.0700 0.043 Uiso 1 1 calc R . .
C36 C 0.80344(14) 0.5088(2) 0.08066(6) 0.0311(4) Uani 1 1 d . . .
H36 H 0.8240 0.5551 0.1111 0.037 Uiso 1 1 calc R . .
N1 N 0.26766(12) 0.39735(17) 0.15188(5) 0.0287(3) Uani 1 1 d . . .
O1 O 0.82680(11) 0.24397(15) 0.21828(5) 0.0428(3) Uani 1 1 d . . .
O2 O 0.90417(11) 0.44202(18) 0.26469(5) 0.0472(4) Uani 1 1 d . . .
O3 O 0.40096(11) 0.23618(15) 0.19784(4) 0.0380(3) Uani 1 1 d . . .
O4 O 0.15690(11) 0.61240(16) 0.12345(5) 0.0455(4) 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 0.0016 '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
C8 C1 C7 123.50(15) . . ?
C8 C1 C2 116.41(15) . . ?
C7 C1 C2 120.09(14) . . ?
C1 C2 C3 115.36(13) . . ?
C1 C2 C12 114.09(14) . . ?
C3 C2 C12 114.43(13) . . ?
C1 C2 H2 103.6 . . ?
C3 C2 H2 103.6 . . ?
C12 C2 H2 103.6 . . ?
C15 C3 C4 123.52(15) . . ?
C15 C3 C2 116.98(14) . . ?
C4 C3 C2 118.55(14) . . ?
C5 C4 C25 122.09(14) . . ?
C5 C4 C3 120.11(14) . . ?
C25 C4 C3 117.61(14) . . ?
C4 C5 C31 123.79(15) . . ?
C4 C5 C6 119.45(14) . . ?
C31 C5 C6 115.81(14) . . ?
C5 C6 C7 107.54(13) . . ?
C5 C6 H6A 110.2 . . ?
C7 C6 H6A 110.2 . . ?
C5 C6 H6B 110.2 . . ?
C7 C6 H6B 110.2 . . ?
H6A C6 H6B 108.5 . . ?
C1 C7 C6 112.80(14) . . ?
C1 C7 H7A 109.0 . . ?
C6 C7 H7A 109.0 . . ?
C1 C7 H7B 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C1 C8 C9 126.46(16) . . ?
C1 C8 H8 116.8 . . ?
C9 C8 H8 116.8 . . ?
O1 C9 O2 122.34(17) . . ?
O1 C9 C8 127.12(16) . . ?
O2 C9 C8 110.51(16) . . ?
C11 C10 O2 111.3(2) . . ?
C11 C10 H10A 109.4 . . ?
O2 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
O2 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 103.42(14) . . ?
C17 C12 C2 117.04(14) . . ?
C13 C12 C2 110.51(14) . . ?
C17 C12 H12 108.5 . . ?
C13 C12 H12 108.5 . . ?
C2 C12 H12 108.5 . . ?
C18 C13 C14 111.73(15) . . ?
C18 C13 C12 104.31(14) . . ?
C14 C13 C12 114.83(14) . . ?
C18 C13 H13 108.6 . . ?
C14 C13 H13 108.6 . . ?
C12 C13 H13 108.6 . . ?
C15 C14 C13 110.64(14) . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C3 C15 C16 126.28(16) . . ?
C3 C15 C14 118.06(15) . . ?
C16 C15 C14 115.65(15) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O3 C17 N1 123.85(16) . . ?
O3 C17 C12 127.82(16) . . ?
N1 C17 C12 108.29(14) . . ?
O4 C18 N1 124.43(17) . . ?
O4 C18 C13 127.85(17) . . ?
N1 C18 C13 107.68(15) . . ?
C20 C19 C24 120.49(17) . . ?
C20 C19 N1 119.05(15) . . ?
C24 C19 N1 120.45(15) . . ?
C21 C20 C19 119.60(17) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C22 C21 C20 120.29(18) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.95(18) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.20(18) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 119.45(17) . . ?
C23 C24 H24 120.3 . . ?
C19 C24 H24 120.3 . . ?
C30 C25 C26 118.14(16) . . ?
C30 C25 C4 119.95(15) . . ?
C26 C25 C4 121.89(15) . . ?
C27 C26 C25 120.70(17) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 120.45(17) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.58(17) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.14(18) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 120.92(17) . . ?
C29 C30 H30 119.5 . . ?
C25 C30 H30 119.5 . . ?
C32 C31 C36 118.13(15) . . ?
C32 C31 C5 121.42(14) . . ?
C36 C31 C5 120.38(15) . . ?
C33 C32 C31 120.93(16) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C34 120.03(17) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 119.93(16) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.98(17) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.98(17) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C17 N1 C18 111.89(14) . . ?
C17 N1 C19 124.19(14) . . ?
C18 N1 C19 123.91(14) . . ?
C9 O2 C10 116.31(16) . . ?
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
C1 C8 1.335(2) . ?
C1 C7 1.512(2) . ?
C1 C2 1.523(2) . ?
C2 C3 1.537(2) . ?
C2 C12 1.572(2) . ?
C2 H2 1.0000 . ?
C3 C15 1.343(2) . ?
C3 C4 1.499(2) . ?
C4 C5 1.344(2) . ?
C4 C25 1.491(2) . ?
C5 C31 1.492(2) . ?
C5 C6 1.507(2) . ?
C6 C7 1.540(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.468(2) . ?
C8 H8 0.9500 . ?
C9 O1 1.212(2) . ?
C9 O2 1.343(2) . ?
C10 C11 1.437(4) . ?
C10 O2 1.460(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C17 1.514(3) . ?
C12 C13 1.531(2) . ?
C12 H12 1.0000 . ?
C13 C18 1.516(3) . ?
C13 C14 1.522(3) . ?
C13 H13 1.0000 . ?
C14 C15 1.510(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.503(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 O3 1.212(2) . ?
C17 N1 1.396(2) . ?
C18 O4 1.210(2) . ?
C18 N1 1.402(2) . ?
C19 C20 1.382(2) . ?
C19 C24 1.385(2) . ?
C19 N1 1.438(2) . ?
C20 C21 1.381(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.391(2) . ?
C25 C26 1.396(2) . ?
C26 C27 1.382(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.379(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.390(2) . ?
C31 C36 1.399(2) . ?
C32 C33 1.385(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(2) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
