#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:09:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179742 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/38/7003816.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_7003816
loop_
_publ_author_name
'Liang, Lan-Chang'
'Chien, Pin-Shu'
'Lee, Pei-Ying'
'Lin, Jia-Ming'
'Huang, Yu-Lun'
_publ_section_title
;
 Terminal nickel(ii) amide, alkoxide, and thiolate complexes containing
 amido diphosphine ligands of the type [N(o-C6H4PR2)2]− (R = Ph,
 iPr, Cy)
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              3320
_journal_page_last               3327
_journal_paper_doi               10.1039/b719894a
_journal_year                    2008
_chemical_formula_moiety         'C30 H42 N2 Ni P2'
_chemical_formula_sum            'C30 H42 N2 Ni P2'
_chemical_formula_weight         551.31
_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                98.2280(10)
_cell_angle_beta                 93.5890(10)
_cell_angle_gamma                115.4280(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4550(2)
_cell_length_b                   10.7220(2)
_cell_length_c                   17.7680(5)
_cell_measurement_reflns_used    17302
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.037
_cell_volume                     1594.44(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0643
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19288
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.8993
_exptl_absorpt_correction_T_min  0.8331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.239
_refine_ls_extinction_coef       0.070(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.741
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.741
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1778P)²+2.1852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1662
_refine_ls_wR_factor_ref         0.1818
_reflns_number_gt                4528
_reflns_number_total             5606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719894a.txt
_cod_data_source_block           4431
_cod_original_cell_volume        1594.44(6)
_cod_database_code               7003816
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
Ni1 Ni 0.68077(5) 0.28446(4) 0.28450(2) 0.0291(2) Uani 1 1 d . . .
P1 P 0.57487(10) 0.07045(9) 0.21188(5) 0.0308(3) Uani 1 1 d . . .
P2 P 0.81939(10) 0.50406(9) 0.33835(5) 0.0303(3) Uani 1 1 d . . .
N1 N 0.7855(4) 0.3405(3) 0.19791(17) 0.0333(7) Uani 1 1 d . . .
N2 N 0.5932(4) 0.2313(3) 0.37354(18) 0.0373(7) Uani 1 1 d . . .
H2 H 0.6614 0.2398 0.4183 0.045 Uiso 1 1 d R . .
C1 C 0.5549(4) -0.0836(4) 0.2529(2) 0.0386(8) Uani 1 1 d . . .
H1 H 0.5484 -0.1555 0.2119 0.046 Uiso 1 1 d R . .
C2 C 0.7015(5) -0.0435(5) 0.3100(3) 0.0535(11) Uani 1 1 d . . .
H2A H 0.6930 -0.1233 0.3315 0.064 Uiso 1 1 d R . .
H2B H 0.7095 0.0302 0.3503 0.064 Uiso 1 1 d R . .
H2C H 0.7940 -0.0106 0.2847 0.064 Uiso 1 1 d R . .
C3 C 0.4032(5) -0.1473(4) 0.2893(3) 0.0495(10) Uani 1 1 d . . .
H3A H 0.3961 -0.2273 0.3102 0.059 Uiso 1 1 d R . .
H3B H 0.3140 -0.1757 0.2508 0.059 Uiso 1 1 d R . .
H3C H 0.4036 -0.0771 0.3296 0.059 Uiso 1 1 d R . .
C4 C 0.3926(5) 0.0133(4) 0.1444(2) 0.0418(9) Uani 1 1 d . . .
H4 H 0.3064 -0.0103 0.1741 0.050 Uiso 1 1 d R . .
C5 C 0.3581(6) -0.1165(5) 0.0837(3) 0.0601(12) Uani 1 1 d . . .
H5A H 0.2620 -0.1428 0.0504 0.072 Uiso 1 1 d R . .
H5B H 0.3488 -0.1937 0.1080 0.072 Uiso 1 1 d R . .
H5C H 0.4447 -0.0932 0.0542 0.072 Uiso 1 1 d R . .
C6 C 0.4027(6) 0.1356(5) 0.1068(3) 0.0564(11) Uani 1 1 d . . .
H6A H 0.3083 0.1073 0.0717 0.068 Uiso 1 1 d R . .
H6B H 0.4924 0.1637 0.0794 0.068 Uiso 1 1 d R . .
H6C H 0.4153 0.2132 0.1456 0.068 Uiso 1 1 d R . .
C7 C 0.7341(4) 0.1022(4) 0.1540(2) 0.0340(8) Uani 1 1 d . . .
C8 C 0.7747(5) 0.0008(4) 0.1171(2) 0.0397(9) Uani 1 1 d . . .
H8 H 0.7074 -0.0971 0.1150 0.048 Uiso 1 1 d R . .
C9 C 0.9104(5) 0.0399(4) 0.0819(2) 0.0444(9) Uani 1 1 d . . .
H9 H 0.9383 -0.0305 0.0574 0.053 Uiso 1 1 d R . .
C10 C 1.0038(5) 0.1804(4) 0.0837(2) 0.0439(9) Uani 1 1 d . . .
H10 H 1.0994 0.2109 0.0607 0.053 Uiso 1 1 d R . .
C11 C 0.9659(4) 0.2841(4) 0.1189(2) 0.0404(9) Uani 1 1 d . . .
H11 H 1.0318 0.3808 0.1172 0.048 Uiso 1 1 d R . .
C12 C 0.8290(4) 0.2466(4) 0.1554(2) 0.0330(8) Uani 1 1 d . . .
C13 C 0.8481(4) 0.4817(4) 0.1891(2) 0.0340(8) Uani 1 1 d . . .
C14 C 0.8809(5) 0.5285(4) 0.1197(2) 0.0448(9) Uani 1 1 d . . .
H14 H 0.8634 0.4610 0.0741 0.054 Uiso 1 1 d R . .
C15 C 0.9362(5) 0.6689(5) 0.1166(2) 0.0493(10) Uani 1 1 d . . .
H15 H 0.9595 0.6998 0.0687 0.059 Uiso 1 1 d R . .
C16 C 0.9595(5) 0.7683(4) 0.1818(3) 0.0480(10) Uani 1 1 d . . .
H16 H 0.9989 0.8660 0.1790 0.058 Uiso 1 1 d R . .
C17 C 0.9255(4) 0.7249(4) 0.2506(2) 0.0396(9) Uani 1 1 d . . .
H17 H 0.9398 0.7915 0.2961 0.048 Uiso 1 1 d R . .
C18 C 0.8693(4) 0.5829(4) 0.2545(2) 0.0327(8) Uani 1 1 d . . .
C19 C 0.7355(4) 0.6033(4) 0.3990(2) 0.0377(8) Uani 1 1 d . . .
H19 H 0.8059 0.7017 0.4057 0.045 Uiso 1 1 d R . .
C20 C 0.5756(5) 0.5761(5) 0.3577(3) 0.0477(10) Uani 1 1 d . . .
H20A H 0.5322 0.6285 0.3885 0.057 Uiso 1 1 d R . .
H20B H 0.5056 0.4775 0.3505 0.057 Uiso 1 1 d R . .
H20C H 0.5877 0.6043 0.3087 0.057 Uiso 1 1 d R . .
C21 C 0.7227(5) 0.5660(4) 0.4787(2) 0.0469(10) Uani 1 1 d . . .
H21A H 0.6797 0.6191 0.5092 0.056 Uiso 1 1 d R . .
H21B H 0.8255 0.5863 0.5033 0.056 Uiso 1 1 d R . .
H21C H 0.6541 0.4674 0.4733 0.056 Uiso 1 1 d R . .
C22 C 1.0094(4) 0.5364(4) 0.3918(2) 0.0380(8) Uani 1 1 d . . .
H22 H 0.9831 0.4852 0.4331 0.046 Uiso 1 1 d R . .
C23 C 1.1159(5) 0.6917(5) 0.4257(3) 0.0533(11) Uani 1 1 d . . .
H23A H 1.2120 0.7015 0.4532 0.064 Uiso 1 1 d R . .
H23B H 1.0623 0.7280 0.4601 0.064 Uiso 1 1 d R . .
H23C H 1.1404 0.7433 0.3845 0.064 Uiso 1 1 d R . .
C24 C 1.0956(5) 0.4740(5) 0.3403(3) 0.0506(10) Uani 1 1 d . . .
H24A H 1.1946 0.4903 0.3677 0.061 Uiso 1 1 d R . .
H24B H 1.1145 0.5175 0.2960 0.061 Uiso 1 1 d R . .
H24C H 1.0307 0.3747 0.3244 0.061 Uiso 1 1 d R . .
C25 C 0.4403(4) 0.1805(4) 0.3852(2) 0.0367(8) Uani 1 1 d . . .
C26 C 0.3233(4) 0.1764(4) 0.3304(2) 0.0417(9) Uani 1 1 d . . .
H26 H 0.3542 0.2124 0.2845 0.050 Uiso 1 1 d R . .
C27 C 0.1656(5) 0.1216(5) 0.3413(3) 0.0544(11) Uani 1 1 d . . .
H27 H 0.0893 0.1215 0.3030 0.065 Uiso 1 1 d R . .
C28 C 0.1175(6) 0.0697(5) 0.4071(3) 0.0647(14) Uani 1 1 d . . .
H28 H 0.0084 0.0292 0.4149 0.078 Uiso 1 1 d R . .
C29 C 0.2295(6) 0.0728(4) 0.4618(3) 0.0594(13) Uani 1 1 d . . .
H29 H 0.1989 0.0385 0.5081 0.071 Uiso 1 1 d R . .
C30 C 0.3890(5) 0.1278(4) 0.4521(2) 0.0459(10) Uani 1 1 d . . .
H30 H 0.4662 0.1302 0.4908 0.055 Uiso 1 1 d 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'
P P 0.1023 0.0942 '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'
Ni Ni 0.3393 1.1124 '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 Ni1 N1 175.46(13) . . ?
N2 Ni1 P2 94.08(10) . . ?
N1 Ni1 P2 84.41(9) . . ?
N2 Ni1 P1 97.12(10) . . ?
N1 Ni1 P1 84.09(9) . . ?
P2 Ni1 P1 168.02(4) . . ?
C7 P1 C1 104.93(17) . . ?
C7 P1 C4 106.48(17) . . ?
C1 P1 C4 106.46(18) . . ?
C7 P1 Ni1 96.40(12) . . ?
C1 P1 Ni1 120.97(13) . . ?
C4 P1 Ni1 119.08(13) . . ?
C18 P2 C22 105.66(16) . . ?
C18 P2 C19 107.75(17) . . ?
C22 P2 C19 107.12(17) . . ?
C18 P2 Ni1 100.41(12) . . ?
C22 P2 Ni1 112.19(13) . . ?
C19 P2 Ni1 122.30(12) . . ?
C12 N1 C13 120.8(3) . . ?
C12 N1 Ni1 117.2(2) . . ?
C13 N1 Ni1 120.3(2) . . ?
C25 N2 Ni1 128.5(3) . . ?
C25 N2 H2 112.1 . . ?
Ni1 N2 H2 119.4 . . ?
C2 C1 C3 111.5(3) . . ?
C2 C1 P1 109.4(3) . . ?
C3 C1 P1 112.9(3) . . ?
C2 C1 H1 108.4 . . ?
C3 C1 H1 106.3 . . ?
P1 C1 H1 108.2 . . ?
C1 C2 H2A 110.2 . . ?
C1 C2 H2B 108.4 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.8 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 110.9 . . ?
C1 C3 H3B 108.7 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 108.7 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 110.9(4) . . ?
C6 C4 P1 109.3(3) . . ?
C5 C4 P1 113.3(3) . . ?
C6 C4 H4 108.0 . . ?
C5 C4 H4 107.9 . . ?
P1 C4 H4 107.2 . . ?
C4 C5 H5A 110.3 . . ?
C4 C5 H5B 110.2 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 107.9 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 110.1 . . ?
C4 C6 H6B 108.6 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.6 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C12 120.7(3) . . ?
C8 C7 P1 126.0(3) . . ?
C12 C7 P1 113.0(3) . . ?
C7 C8 C9 120.6(4) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.4 . . ?
C10 C9 C8 118.8(3) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 122.1(4) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 117.1 . . ?
C10 C11 C12 119.9(4) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 120.5 . . ?
N1 C12 C7 116.7(3) . . ?
N1 C12 C11 125.3(3) . . ?
C7 C12 C11 117.8(3) . . ?
C14 C13 N1 125.2(3) . . ?
C14 C13 C18 117.5(3) . . ?
N1 C13 C18 117.1(3) . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 118.9 . . ?
C14 C15 C16 121.2(4) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 118.9 . . ?
C17 C16 C15 119.3(4) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 C18 120.0(4) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 121.2(3) . . ?
C17 C18 P2 127.2(3) . . ?
C13 C18 P2 111.6(3) . . ?
C20 C19 C21 111.9(3) . . ?
C20 C19 P2 108.8(3) . . ?
C21 C19 P2 111.7(3) . . ?
C20 C19 H19 108.9 . . ?
C21 C19 H19 107.2 . . ?
P2 C19 H19 108.2 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 108.9 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 110.3 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 110.2 . . ?
C19 C21 H21B 109.7 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 108.6 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C24 110.9(3) . . ?
C23 C22 P2 113.8(3) . . ?
C24 C22 P2 109.6(3) . . ?
C23 C22 H22 108.7 . . ?
C24 C22 H22 107.4 . . ?
P2 C22 H22 106.1 . . ?
C22 C23 H23A 109.8 . . ?
C22 C23 H23B 109.9 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 108.7 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 110.2 . . ?
C22 C24 H24B 109.1 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.1 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 C26 121.3(3) . . ?
N2 C25 C30 122.0(4) . . ?
C26 C25 C30 116.7(4) . . ?
C27 C26 C25 121.5(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 118.8 . . ?
C28 C27 C26 121.0(5) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.3 . . ?
C29 C28 C27 118.7(4) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 122.0 . . ?
C28 C29 C30 121.4(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 118.6 . . ?
C25 C30 C29 120.8(4) . . ?
C25 C30 H30 118.6 . . ?
C29 C30 H30 120.6 . . ?
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
Ni1 N2 1.879(3) . ?
Ni1 N1 1.911(3) . ?
Ni1 P2 2.1738(9) . ?
Ni1 P1 2.2249(10) . ?
P1 C7 1.815(4) . ?
P1 C1 1.840(4) . ?
P1 C4 1.846(4) . ?
P2 C18 1.807(4) . ?
P2 C22 1.846(4) . ?
P2 C19 1.851(4) . ?
N1 C12 1.390(5) . ?
N1 C13 1.406(4) . ?
N2 C25 1.351(5) . ?
N2 H2 0.9599 . ?
C1 C2 1.524(6) . ?
C1 C3 1.532(5) . ?
C1 H1 0.9602 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9602 . ?
C2 H2C 0.9602 . ?
C3 H3A 0.9599 . ?
C3 H3B 0.9599 . ?
C3 H3C 0.9601 . ?
C4 C6 1.526(6) . ?
C4 C5 1.531(6) . ?
C4 H4 0.9603 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9599 . ?
C5 H5C 0.9603 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9602 . ?
C6 H6C 0.9602 . ?
C7 C8 1.395(5) . ?
C7 C12 1.412(5) . ?
C8 C9 1.388(5) . ?
C8 H8 0.9598 . ?
C9 C10 1.375(6) . ?
C9 H9 0.9601 . ?
C10 C11 1.388(5) . ?
C10 H10 0.9602 . ?
C11 C12 1.410(5) . ?
C11 H11 0.9600 . ?
C13 C14 1.399(5) . ?
C13 C18 1.410(5) . ?
C14 C15 1.376(6) . ?
C14 H14 0.9602 . ?
C15 C16 1.393(6) . ?
C15 H15 0.9602 . ?
C16 C17 1.376(6) . ?
C16 H16 0.9599 . ?
C17 C18 1.395(5) . ?
C17 H17 0.9602 . ?
C19 C20 1.527(5) . ?
C19 C21 1.522(5) . ?
C19 H19 0.9599 . ?
C20 H20A 0.9602 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9601 . ?
C21 H21A 0.9602 . ?
C21 H21B 0.9599 . ?
C21 H21C 0.9599 . ?
C22 C23 1.532(6) . ?
C22 C24 1.528(5) . ?
C22 H22 0.9602 . ?
C23 H23A 0.9599 . ?
C23 H23B 0.9602 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9602 . ?
C24 H24C 0.9600 . ?
C25 C26 1.409(6) . ?
C25 C30 1.414(5) . ?
C26 C27 1.386(6) . ?
C26 H26 0.9602 . ?
C27 C28 1.387(7) . ?
C27 H27 0.9599 . ?
C28 C29 1.377(8) . ?
C28 H28 0.9600 . ?
C29 C30 1.396(6) . ?
C29 H29 0.9602 . ?
C30 H30 0.9597 . ?
