#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:05:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178420 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/41/4024110.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_4024110
loop_
_publ_author_name
'Ling Zhou'
'Tao-Xiang Zhang'
'Bing-Rui Li'
'Xiao-Ping Cao'
'Dietmar Kuck'
_publ_section_title
;
 C3v-Symmetrical Tribenzotriquinacenes Extended by Six
 C₁-Functional Groups and the First Triquinacene-Based
 Tris(dithiametacyclophanes)
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6382
_journal_page_last               6389
_journal_paper_doi               10.1021/jo070565e
_journal_volume                  72
_journal_year                    2007
_chemical_formula_sum            'C34 H33 Cl6 N'
_chemical_formula_weight         668.31
_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                 101.141(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.273(3)
_cell_length_b                   21.104(5)
_cell_length_c                   12.788(3)
_cell_measurement_reflns_used    3938
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.486
_cell_measurement_theta_min      2.367
_cell_volume                     3249.8(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            16930
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.554
_exptl_absorpt_correction_T_max  0.8089
_exptl_absorpt_correction_T_min  0.7731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       0.0075(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5729
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0580
_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)+(0.0646P)²+4.7803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1773
_reflns_number_gt                3329
_reflns_number_total             5729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo070565esi20070319_061434.cif
_cod_data_source_block           051207e
_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      'P 21/c'
_cod_database_code               4024110
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
Cl1 Cl 0.02171(12) 0.82477(9) 0.61804(12) 0.0983(6) Uani 1 1 d . . .
Cl2 Cl 0.28278(15) 1.03480(7) 0.65479(13) 0.0969(6) Uani 1 1 d . . .
Cl3 Cl 0.96205(11) 0.86979(9) 0.91489(15) 0.1041(6) Uani 1 1 d . . .
Cl4 Cl 0.82783(14) 0.69044(8) 0.71853(12) 0.0940(5) Uani 1 1 d . . .
Cl5 Cl 0.35144(18) 0.47136(6) 0.88078(13) 0.1075(6) Uani 1 1 d . . .
Cl6 Cl 0.06791(15) 0.55074(10) 0.86322(13) 0.1210(7) Uani 1 1 d U . .
N1 N 0.7751(6) 1.0221(3) -0.0574(5) 0.129(2) Uani 1 1 d . . .
C1 C 0.4457(3) 0.79545(18) 1.0438(3) 0.0406(9) Uani 1 1 d . . .
C2 C 0.3207(3) 0.78523(18) 0.9841(3) 0.0401(9) Uani 1 1 d . . .
C3 C 0.4953(3) 0.85065(17) 0.9814(3) 0.0376(9) Uani 1 1 d . . .
C4 C 0.5114(3) 0.73286(17) 1.0247(3) 0.0393(9) Uani 1 1 d . . .
C5 C 0.4556(4) 0.8113(2) 1.1622(3) 0.0595(12) Uani 1 1 d . . .
H5A H 0.4303 0.7759 1.1983 0.089 Uiso 1 1 calc R . .
H5B H 0.4109 0.8478 1.1695 0.089 Uiso 1 1 calc R . .
H5C H 0.5317 0.8201 1.1931 0.089 Uiso 1 1 calc R . .
C6 C 0.2306(4) 0.7962(2) 1.0512(3) 0.0558(11) Uani 1 1 d . . .
H6A H 0.1588 0.7870 1.0089 0.084 Uiso 1 1 calc R . .
H6B H 0.2327 0.8396 1.0741 0.084 Uiso 1 1 calc R . .
H6C H 0.2441 0.7689 1.1124 0.084 Uiso 1 1 calc R . .
C7 C 0.5287(4) 0.91191(19) 1.0437(4) 0.0548(11) Uani 1 1 d . . .
H7A H 0.5876 0.9031 1.1031 0.082 Uiso 1 1 calc R . .
H7B H 0.4659 0.9286 1.0691 0.082 Uiso 1 1 calc R . .
H7C H 0.5537 0.9424 0.9978 0.082 Uiso 1 1 calc R . .
C8 C 0.5652(4) 0.6969(2) 1.1259(3) 0.0560(11) Uani 1 1 d . . .
H8A H 0.6067 0.6616 1.1068 0.084 Uiso 1 1 calc R . .
H8B H 0.5085 0.6818 1.1618 0.084 Uiso 1 1 calc R . .
H8C H 0.6143 0.7248 1.1722 0.084 Uiso 1 1 calc R . .
C9 C 0.3069(3) 0.83068(17) 0.8905(3) 0.0385(9) Uani 1 1 d . . .
C10 C 0.2137(3) 0.8379(2) 0.8109(3) 0.0493(10) Uani 1 1 d . . .
H10 H 0.1494 0.8153 0.8145 0.059 Uiso 1 1 calc R . .
C11 C 0.2155(3) 0.8784(2) 0.7259(3) 0.0526(11) Uani 1 1 d . . .
C12 C 0.3131(3) 0.91190(19) 0.7205(3) 0.0462(10) Uani 1 1 d . . .
C13 C 0.4048(3) 0.90485(18) 0.8016(3) 0.0436(10) Uani 1 1 d . . .
H13 H 0.4691 0.9276 0.7989 0.052 Uiso 1 1 calc R . .
C14 C 0.4029(3) 0.86436(17) 0.8871(3) 0.0365(9) Uani 1 1 d . . .
C15 C 0.1126(5) 0.8881(3) 0.6408(5) 0.0920(19) Uani 1 1 d . . .
H15A H 0.1357 0.8984 0.5745 0.110 Uiso 1 1 calc R . .
H15B H 0.0726 0.9245 0.6606 0.110 Uiso 1 1 calc R . .
C16 C 0.3218(4) 0.9552(2) 0.6297(4) 0.0589(12) Uani 1 1 d . . .
H16A H 0.2741 0.9397 0.5654 0.071 Uiso 1 1 calc R . .
H16B H 0.3976 0.9550 0.6181 0.071 Uiso 1 1 calc R . .
C17 C 0.5935(3) 0.81997(17) 0.9464(3) 0.0363(8) Uani 1 1 d . . .
C18 C 0.6726(3) 0.84904(19) 0.8988(3) 0.0440(9) Uani 1 1 d . . .
H18 H 0.6684 0.8925 0.8863 0.053 Uiso 1 1 calc R . .
C19 C 0.7576(3) 0.8146(2) 0.8695(3) 0.0460(10) Uani 1 1 d . . .
C20 C 0.7643(3) 0.7493(2) 0.8877(3) 0.0478(10) Uani 1 1 d . . .
C21 C 0.6852(3) 0.72056(19) 0.9369(3) 0.0472(10) Uani 1 1 d . . .
H21 H 0.6895 0.6772 0.9503 0.057 Uiso 1 1 calc R . .
C22 C 0.5998(3) 0.75545(18) 0.9663(3) 0.0396(9) Uani 1 1 d . . .
C23 C 0.8405(4) 0.8491(3) 0.8189(4) 0.0681(14) Uani 1 1 d . . .
H23A H 0.8068 0.8873 0.7849 0.082 Uiso 1 1 calc R . .
H23B H 0.8618 0.8225 0.7642 0.082 Uiso 1 1 calc R . .
C24 C 0.8546(4) 0.7094(2) 0.8585(4) 0.0658(13) Uani 1 1 d . . .
H24A H 0.8612 0.6704 0.8995 0.079 Uiso 1 1 calc R . .
H24B H 0.9247 0.7319 0.8766 0.079 Uiso 1 1 calc R . .
C25 C 0.4235(3) 0.69124(17) 0.9579(3) 0.0372(9) Uani 1 1 d . . .
C26 C 0.4384(3) 0.63254(18) 0.9152(3) 0.0423(9) Uani 1 1 d . . .
H26 H 0.5089 0.6146 0.9263 0.051 Uiso 1 1 calc R . .
C27 C 0.3488(4) 0.59992(18) 0.8557(3) 0.0445(10) Uani 1 1 d . . .
C28 C 0.2420(3) 0.62620(19) 0.8422(3) 0.0464(10) Uani 1 1 d . . .
C29 C 0.2293(3) 0.68487(19) 0.8859(3) 0.0471(10) Uani 1 1 d . . .
H29 H 0.1586 0.7024 0.8776 0.057 Uiso 1 1 calc R . .
C30 C 0.3190(3) 0.71831(18) 0.9419(3) 0.0406(9) Uani 1 1 d . . .
C31 C 0.3724(4) 0.5384(2) 0.8050(4) 0.0620(12) Uani 1 1 d . . .
H31A H 0.4488 0.5386 0.7950 0.074 Uiso 1 1 calc R . .
H31B H 0.3248 0.5352 0.7352 0.074 Uiso 1 1 calc R . .
C32 C 0.1405(4) 0.5939(2) 0.7803(4) 0.0650(13) Uani 1 1 d . . .
H32A H 0.1626 0.5653 0.7287 0.078 Uiso 1 1 calc R . .
H32B H 0.0913 0.6255 0.7413 0.078 Uiso 1 1 calc R . .
C33 C 0.8181(5) 1.0033(3) 0.0200(4) 0.0705(14) Uani 1 1 d . . .
C34 C 0.8721(6) 0.9796(3) 0.1194(5) 0.109(2) Uani 1 1 d . . .
H34A H 0.8805 0.9345 0.1147 0.163 Uiso 1 1 calc R . .
H34B H 0.8286 0.9891 0.1723 0.163 Uiso 1 1 calc R . .
H34C H 0.9439 0.9990 0.1391 0.163 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'
Cl Cl 0.1484 0.1585 '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
C5 C1 C4 112.8(3) . . ?
C5 C1 C2 112.8(3) . . ?
C4 C1 C2 106.5(3) . . ?
C5 C1 C3 111.7(3) . . ?
C4 C1 C3 106.0(3) . . ?
C2 C1 C3 106.6(3) . . ?
C30 C2 C9 108.5(3) . . ?
C30 C2 C6 112.2(3) . . ?
C9 C2 C6 111.2(3) . . ?
C30 C2 C1 104.1(3) . . ?
C9 C2 C1 104.0(3) . . ?
C6 C2 C1 116.2(3) . . ?
C17 C3 C14 111.3(3) . . ?
C17 C3 C7 111.5(3) . . ?
C14 C3 C7 109.7(3) . . ?
C17 C3 C1 103.8(3) . . ?
C14 C3 C1 103.7(3) . . ?
C7 C3 C1 116.4(3) . . ?
C22 C4 C25 113.9(3) . . ?
C22 C4 C8 109.9(3) . . ?
C25 C4 C8 109.4(3) . . ?
C22 C4 C1 104.3(3) . . ?
C25 C4 C1 103.9(3) . . ?
C8 C4 C1 115.5(3) . . ?
C1 C5 H5A 109.5 . . ?
C1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C6 H6A 109.5 . . ?
C2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C9 C10 120.6(3) . . ?
C14 C9 C2 112.5(3) . . ?
C10 C9 C2 126.8(4) . . ?
C9 C10 C11 120.5(4) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 119.4(4) . . ?
C10 C11 C15 120.6(4) . . ?
C12 C11 C15 119.9(4) . . ?
C13 C12 C11 119.2(4) . . ?
C13 C12 C16 118.5(4) . . ?
C11 C12 C16 122.3(4) . . ?
C12 C13 C14 121.3(4) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C9 C14 C13 118.9(3) . . ?
C9 C14 C3 112.8(3) . . ?
C13 C14 C3 128.2(3) . . ?
C11 C15 Cl1 116.0(4) . . ?
C11 C15 H15A 108.3 . . ?
Cl1 C15 H15A 108.3 . . ?
C11 C15 H15B 108.3 . . ?
Cl1 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C12 C16 Cl2 111.8(3) . . ?
C12 C16 H16A 109.2 . . ?
Cl2 C16 H16A 109.2 . . ?
C12 C16 H16B 109.2 . . ?
Cl2 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C22 C17 C18 119.8(3) . . ?
C22 C17 C3 112.8(3) . . ?
C18 C17 C3 127.4(3) . . ?
C19 C18 C17 121.1(4) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 119.8(4) . . ?
C18 C19 C23 118.3(4) . . ?
C20 C19 C23 122.0(4) . . ?
C21 C20 C19 118.8(4) . . ?
C21 C20 C24 118.9(4) . . ?
C19 C20 C24 122.4(4) . . ?
C22 C21 C20 121.2(4) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C17 C22 C21 119.3(4) . . ?
C17 C22 C4 112.4(3) . . ?
C21 C22 C4 128.2(4) . . ?
C19 C23 Cl3 111.6(3) . . ?
C19 C23 H23A 109.3 . . ?
Cl3 C23 H23A 109.3 . . ?
C19 C23 H23B 109.3 . . ?
Cl3 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C20 C24 Cl4 111.8(3) . . ?
C20 C24 H24A 109.3 . . ?
Cl4 C24 H24A 109.3 . . ?
C20 C24 H24B 109.3 . . ?
Cl4 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C26 C25 C30 120.1(4) . . ?
C26 C25 C4 127.4(3) . . ?
C30 C25 C4 112.5(3) . . ?
C25 C26 C27 120.6(4) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C26 C27 C28 119.5(4) . . ?
C26 C27 C31 117.7(4) . . ?
C28 C27 C31 122.8(4) . . ?
C29 C28 C27 118.7(4) . . ?
C29 C28 C32 118.3(4) . . ?
C27 C28 C32 123.0(4) . . ?
C28 C29 C30 121.7(4) . . ?
C28 C29 H29 119.1 . . ?
C30 C29 H29 119.1 . . ?
C25 C30 C29 119.2(4) . . ?
C25 C30 C2 112.6(3) . . ?
C29 C30 C2 128.0(4) . . ?
C27 C31 Cl5 113.3(3) . . ?
C27 C31 H31A 108.9 . . ?
Cl5 C31 H31A 108.9 . . ?
C27 C31 H31B 108.9 . . ?
Cl5 C31 H31B 108.9 . . ?
H31A C31 H31B 107.7 . . ?
C28 C32 Cl6 112.4(3) . . ?
C28 C32 H32A 109.1 . . ?
Cl6 C32 H32A 109.1 . . ?
C28 C32 H32B 109.1 . . ?
Cl6 C32 H32B 109.1 . . ?
H32A C32 H32B 107.9 . . ?
N1 C33 C34 179.3(8) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 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
Cl1 C15 1.729(6) . ?
Cl2 C16 1.792(5) . ?
Cl3 C23 1.793(5) . ?
Cl4 C24 1.801(5) . ?
Cl5 C31 1.762(5) . ?
Cl6 C32 1.764(5) . ?
N1 C33 1.102(6) . ?
C1 C5 1.533(5) . ?
C1 C4 1.591(5) . ?
C1 C2 1.591(5) . ?
C1 C3 1.598(5) . ?
C2 C30 1.511(5) . ?
C2 C9 1.518(5) . ?
C2 C6 1.543(5) . ?
C3 C17 1.510(5) . ?
C3 C14 1.515(5) . ?
C3 C7 1.532(5) . ?
C4 C22 1.509(5) . ?
C4 C25 1.520(5) . ?
C4 C8 1.534(5) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C14 1.384(5) . ?
C9 C10 1.384(5) . ?
C10 C11 1.388(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.404(6) . ?
C11 C15 1.513(6) . ?
C12 C13 1.383(5) . ?
C12 C16 1.498(6) . ?
C13 C14 1.392(5) . ?
C13 H13 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C22 1.385(5) . ?
C17 C18 1.385(5) . ?
C18 C19 1.382(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(6) . ?
C19 C23 1.496(6) . ?
C20 C21 1.393(6) . ?
C20 C24 1.497(6) . ?
C21 C22 1.390(5) . ?
C21 H21 0.9300 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.380(5) . ?
C25 C30 1.383(5) . ?
C26 C27 1.392(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.404(6) . ?
C27 C31 1.504(6) . ?
C28 C29 1.379(6) . ?
C28 C32 1.504(6) . ?
C29 C30 1.384(5) . ?
C29 H29 0.9300 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.407(8) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
