#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/56/4315607.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_4315607
loop_
_publ_author_name
'Soumya Sarkar'
'Kevin P. McGowan'
'Jeffrey A. Culver'
'Adam R. Carlson'
'Jürgen Koller'
'Andrew J. Peloquin'
'Melanie K. Veige'
'Khalil A. Abboud'
'Adam S. Veige'
_publ_section_title
;
 NCN Trianionic Pincer Ligand Precursors: Synthesis of Bimetallic,
 Chelating Diamide, and Pincer Group IV Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5143
_journal_page_last               5156
_journal_paper_doi               10.1021/ic100232s
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C32 H44 N2'
_chemical_formula_weight         456.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.047(2)
_cell_angle_beta                 90.730(2)
_cell_angle_gamma                113.013(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7730(15)
_cell_length_b                   11.3453(16)
_cell_length_c                   13.5349(19)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     1386.4(3)
_computing_cell_refinement
'Bruker SMART v5.624 & SAINT 6.36a (Bruker 1998)'
_computing_data_collection       'Bruker SMART v5.624 (Bruker 1998)'
_computing_data_reduction        'Bruker SHELXTL v6.14 (Bruker 2000)'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'SMART CCD area detector'
_diffrn_measurement_method       'ω 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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9182
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  0.9968
_exptl_absorpt_correction_T_min  0.9859
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'based on measured indexed crystal faces, Bruker SHELXTL  v6.12 (Bruker 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.209
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         6079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0489
_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)+(0.0616P)²+0.1718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                4187
_reflns_number_total             6079
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic100232s_si_001_04.cif
_cod_data_source_block           kv05
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4315607
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
C1 C 0.65559(15) 0.50181(16) 0.40004(11) 0.0308(3) Uani 1 1 d . . .
H1A H 0.6183 0.5312 0.3546 0.037 Uiso 1 1 calc R . .
N1 N 0.42148(13) 0.19053(14) 0.23796(10) 0.0327(3) Uani 1 1 d . . .
H2 H 0.4580(18) 0.1366(19) 0.2440(14) 0.038(5) Uiso 1 1 d . . .
N2 N 0.84361(13) 0.69566(15) 0.32540(11) 0.0347(3) Uani 1 1 d . . .
H3 H 0.8566(19) 0.625(2) 0.2767(15) 0.046(5) Uiso 1 1 d . . .
C2 C 0.57139(15) 0.38184(16) 0.41375(11) 0.0327(3) Uani 1 1 d . . .
C3 C 0.62697(18) 0.34157(18) 0.48243(13) 0.0417(4) Uani 1 1 d . . .
H3A H 0.5711 0.2608 0.4938 0.050 Uiso 1 1 calc R . .
C4 C 0.76328(19) 0.41878(19) 0.53404(14) 0.0453(4) Uani 1 1 d . . .
H4A H 0.8003 0.3907 0.5806 0.054 Uiso 1 1 calc R . .
C5 C 0.84579(17) 0.53644(18) 0.51816(13) 0.0395(4) Uani 1 1 d . . .
H5A H 0.9394 0.5880 0.5533 0.047 Uiso 1 1 calc R . .
C6 C 0.79278(15) 0.57993(16) 0.45103(11) 0.0319(3) Uani 1 1 d . . .
C7 C 0.42769(15) 0.29136(17) 0.34867(12) 0.0374(4) Uani 1 1 d . . .
H7A H 0.3719 0.2381 0.3882 0.045 Uiso 1 1 calc R . .
H7B H 0.3864 0.3530 0.3424 0.045 Uiso 1 1 calc R . .
C8 C 0.48048(14) 0.24975(15) 0.16381(11) 0.0295(3) Uani 1 1 d . . .
C9 C 0.40276(15) 0.29270(16) 0.11219(12) 0.0322(3) Uani 1 1 d . . .
C10 C 0.45732(17) 0.34737(17) 0.03834(13) 0.0381(4) Uani 1 1 d . . .
H10A H 0.4066 0.3785 0.0043 0.046 Uiso 1 1 calc R . .
C11 C 0.58407(17) 0.35746(18) 0.01320(13) 0.0398(4) Uani 1 1 d . . .
H11A H 0.6198 0.3951 -0.0376 0.048 Uiso 1 1 calc R . .
C12 C 0.65819(16) 0.31256(17) 0.06226(13) 0.0362(4) Uani 1 1 d . . .
H12A H 0.7444 0.3181 0.0436 0.043 Uiso 1 1 calc R . .
C13 C 0.60981(14) 0.25915(15) 0.13855(11) 0.0303(3) Uani 1 1 d . . .
C14 C 0.25838(15) 0.27388(17) 0.13060(13) 0.0374(4) Uani 1 1 d . . .
H14A H 0.2359 0.2309 0.1842 0.045 Uiso 1 1 calc R . .
C15 C 0.2477(2) 0.4131(2) 0.17773(18) 0.0565(5) Uani 1 1 d . . .
H15A H 0.3159 0.4765 0.2448 0.085 Uiso 1 1 calc R . .
H15B H 0.1555 0.3971 0.1936 0.085 Uiso 1 1 calc R . .
H15C H 0.2649 0.4555 0.1252 0.085 Uiso 1 1 calc R . .
C16 C 0.15266(19) 0.1738(2) 0.02605(18) 0.0679(6) Uani 1 1 d . . .
H16A H 0.0609 0.1637 0.0403 0.102 Uiso 1 1 calc R . .
H16B H 0.1549 0.0816 -0.0004 0.102 Uiso 1 1 calc R . .
H16C H 0.1743 0.2117 -0.0290 0.102 Uiso 1 1 calc R . .
C17 C 0.69275(15) 0.20564(17) 0.18735(12) 0.0347(3) Uani 1 1 d . . .
H17A H 0.6698 0.2154 0.2605 0.042 Uiso 1 1 calc R . .
C18 C 0.6486(2) 0.0491(2) 0.11781(17) 0.0597(6) Uani 1 1 d . . .
H18A H 0.5490 -0.0019 0.1089 0.090 Uiso 1 1 calc R . .
H18B H 0.6948 0.0124 0.1535 0.090 Uiso 1 1 calc R . .
H18C H 0.6738 0.0365 0.0464 0.090 Uiso 1 1 calc R . .
C19 C 0.84738(18) 0.2885(2) 0.20298(17) 0.0536(5) Uani 1 1 d . . .
H19A H 0.8731 0.3882 0.2477 0.080 Uiso 1 1 calc R . .
H19B H 0.8738 0.2772 0.1321 0.080 Uiso 1 1 calc R . .
H19C H 0.8947 0.2532 0.2392 0.080 Uiso 1 1 calc R . .
C20 C 0.88210(16) 0.70959(18) 0.43499(13) 0.0390(4) Uani 1 1 d . . .
H20A H 0.8733 0.7922 0.4891 0.047 Uiso 1 1 calc R . .
H20B H 0.9793 0.7257 0.4471 0.047 Uiso 1 1 calc R . .
C21 C 0.90595(15) 0.82253(16) 0.30932(11) 0.0309(3) Uani 1 1 d . . .
C22 C 0.83943(14) 0.91165(16) 0.33508(11) 0.0320(3) Uani 1 1 d . . .
C23 C 0.89685(15) 1.03471(17) 0.31954(12) 0.0355(4) Uani 1 1 d . . .
H23A H 0.8535 1.0967 0.3377 0.043 Uiso 1 1 calc R . .
C24 C 1.01673(16) 1.06873(17) 0.27779(13) 0.0380(4) Uani 1 1 d . . .
H24A H 1.0545 1.1532 0.2673 0.046 Uiso 1 1 calc R . .
C25 C 1.08082(15) 0.97987(17) 0.25162(12) 0.0365(4) Uani 1 1 d . . .
H25A H 1.1623 1.0033 0.2224 0.044 Uiso 1 1 calc R . .
C26 C 1.02809(15) 0.85638(16) 0.26735(12) 0.0337(3) Uani 1 1 d . . .
C27 C 0.70215(16) 0.86884(18) 0.37267(13) 0.0394(4) Uani 1 1 d . . .
H27A H 0.7053 0.8204 0.4204 0.047 Uiso 1 1 calc R . .
C28 C 0.58700(18) 0.7641(2) 0.27494(17) 0.0602(6) Uani 1 1 d . . .
H28A H 0.4990 0.7369 0.2994 0.090 Uiso 1 1 calc R . .
H28B H 0.6034 0.6805 0.2375 0.090 Uiso 1 1 calc R . .
H28C H 0.5846 0.8077 0.2251 0.090 Uiso 1 1 calc R . .
C29 C 0.6719(2) 0.9932(2) 0.4375(2) 0.0812(8) Uani 1 1 d . . .
H29A H 0.7465 1.0597 0.5000 0.122 Uiso 1 1 calc R . .
H29B H 0.5854 0.9601 0.4630 0.122 Uiso 1 1 calc R . .
H29C H 0.6643 1.0401 0.3915 0.122 Uiso 1 1 calc R . .
C30 C 1.09686(17) 0.75664(18) 0.23571(14) 0.0423(4) Uani 1 1 d . . .
H30A H 1.0822 0.7104 0.2873 0.051 Uiso 1 1 calc R . .
C31 C 1.0302(2) 0.6417(2) 0.12181(16) 0.0561(5) Uani 1 1 d . . .
H31A H 0.9310 0.5945 0.1177 0.084 Uiso 1 1 calc R . .
H31B H 1.0692 0.5731 0.1054 0.084 Uiso 1 1 calc R . .
H31C H 1.0476 0.6837 0.0691 0.084 Uiso 1 1 calc R . .
C32 C 1.25232(19) 0.8299(2) 0.24138(19) 0.0610(5) Uani 1 1 d . . .
H32A H 1.2958 0.9040 0.3145 0.092 Uiso 1 1 calc R . .
H32B H 1.2694 0.8716 0.1884 0.092 Uiso 1 1 calc R . .
H32C H 1.2909 0.7610 0.2249 0.092 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'
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
C6 C1 C2 121.86(14) . . ?
C6 C1 H1A 119.1 . . ?
C2 C1 H1A 119.1 . . ?
C8 N1 C7 116.59(12) . . ?
C8 N1 H2 110.6(11) . . ?
C7 N1 H2 108.4(11) . . ?
C21 N2 C20 115.09(12) . . ?
C21 N2 H3 112.7(12) . . ?
C20 N2 H3 109.5(12) . . ?
C1 C2 C3 118.38(15) . . ?
C1 C2 C7 120.51(14) . . ?
C3 C2 C7 120.91(15) . . ?
C4 C3 C2 120.32(16) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C5 C4 C3 120.44(15) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
C4 C5 C6 120.49(16) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 H5A 119.8 . . ?
C1 C6 C5 118.49(15) . . ?
C1 C6 C20 120.94(13) . . ?
C5 C6 C20 120.56(14) . . ?
N1 C7 C2 113.49(12) . . ?
N1 C7 H7A 108.9 . . ?
C2 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C2 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 C13 120.41(13) . . ?
C9 C8 N1 118.07(13) . . ?
C13 C8 N1 121.45(13) . . ?
C10 C9 C8 118.72(14) . . ?
C10 C9 C14 119.17(14) . . ?
C8 C9 C14 122.03(13) . . ?
C11 C10 C9 121.36(15) . . ?
C11 C10 H10A 119.3 . . ?
C9 C10 H10A 119.3 . . ?
C12 C11 C10 119.60(15) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
C11 C12 C13 121.62(14) . . ?
C11 C12 H12A 119.2 . . ?
C13 C12 H12A 119.2 . . ?
C12 C13 C8 118.27(14) . . ?
C12 C13 C17 119.71(13) . . ?
C8 C13 C17 121.93(13) . . ?
C15 C14 C9 112.07(13) . . ?
C15 C14 C16 110.08(15) . . ?
C9 C14 C16 111.30(14) . . ?
C15 C14 H14A 107.7 . . ?
C9 C14 H14A 107.7 . . ?
C16 C14 H14A 107.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 C19 113.49(14) . . ?
C13 C17 C18 109.58(13) . . ?
C19 C17 C18 110.98(15) . . ?
C13 C17 H17A 107.5 . . ?
C19 C17 H17A 107.5 . . ?
C18 C17 H17A 107.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 C20 C6 111.51(13) . . ?
N2 C20 H20A 109.3 . . ?
C6 C20 H20A 109.3 . . ?
N2 C20 H20B 109.3 . . ?
C6 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C22 C21 C26 120.75(14) . . ?
C22 C21 N2 117.43(13) . . ?
C26 C21 N2 121.82(14) . . ?
C23 C22 C21 118.70(13) . . ?
C23 C22 C27 120.96(14) . . ?
C21 C22 C27 120.23(14) . . ?
C22 C23 C24 121.02(15) . . ?
C22 C23 H23A 119.5 . . ?
C24 C23 H23A 119.5 . . ?
C25 C24 C23 119.95(15) . . ?
C25 C24 H24A 120.0 . . ?
C23 C24 H24A 120.0 . . ?
C24 C25 C26 121.04(14) . . ?
C24 C25 H25A 119.5 . . ?
C26 C25 H25A 119.5 . . ?
C25 C26 C21 118.54(14) . . ?
C25 C26 C30 120.95(14) . . ?
C21 C26 C30 120.46(14) . . ?
C29 C27 C22 113.06(14) . . ?
C29 C27 C28 110.21(17) . . ?
C22 C27 C28 109.74(13) . . ?
C29 C27 H27A 107.9 . . ?
C22 C27 H27A 107.9 . . ?
C28 C27 H27A 107.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 C31 110.45(14) . . ?
C26 C30 C32 113.76(15) . . ?
C31 C30 C32 109.07(15) . . ?
C26 C30 H30A 107.8 . . ?
C31 C30 H30A 107.8 . . ?
C32 C30 H30A 107.8 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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
C1 C6 1.392(2) . ?
C1 C2 1.392(2) . ?
C1 H1A 0.9500 . ?
N1 C8 1.4321(19) . ?
N1 C7 1.486(2) . ?
N1 H2 0.872(18) . ?
N2 C21 1.4330(19) . ?
N2 C20 1.468(2) . ?
N2 H3 0.892(19) . ?
C2 C3 1.396(2) . ?
C2 C7 1.507(2) . ?
C3 C4 1.386(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.382(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.392(2) . ?
C5 H5A 0.9500 . ?
C6 C20 1.508(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.409(2) . ?
C8 C13 1.412(2) . ?
C9 C10 1.387(2) . ?
C9 C14 1.522(2) . ?
C10 C11 1.383(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.377(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.393(2) . ?
C12 H12A 0.9500 . ?
C13 C17 1.521(2) . ?
C14 C15 1.517(2) . ?
C14 C16 1.527(3) . ?
C14 H14A 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.523(2) . ?
C17 C18 1.529(2) . ?
C17 H17A 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.402(2) . ?
C21 C26 1.410(2) . ?
C22 C23 1.387(2) . ?
C22 C27 1.525(2) . ?
C23 C24 1.389(2) . ?
C23 H23A 0.9500 . ?
C24 C25 1.379(2) . ?
C24 H24A 0.9500 . ?
C25 C26 1.391(2) . ?
C25 H25A 0.9500 . ?
C26 C30 1.521(2) . ?
C27 C29 1.518(3) . ?
C27 C28 1.525(2) . ?
C27 H27A 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.524(3) . ?
C30 C32 1.537(2) . ?
C30 H30A 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
loop_
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1 ChemSpider 29329256
