#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:09:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179742 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/38/7003815.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_7003815
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 H41 N Ni O P2'
_chemical_formula_sum            'C30 H41 N Ni O P2'
_chemical_formula_weight         552.29
_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                98.8640(10)
_cell_angle_beta                 93.5780(10)
_cell_angle_gamma                115.7630(10)
_cell_formula_units_Z            2
_cell_length_a                   9.41600(10)
_cell_length_b                   10.7770(2)
_cell_length_c                   17.6570(4)
_cell_measurement_reflns_used    21095
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.037
_cell_volume                     1577.45(5)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0766
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20003
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_correction_T_min  0.661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0517
_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)+(0.0763P)²+1.8327P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1462
_reflns_number_gt                4779
_reflns_number_total             5561
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719894a.txt
_cod_data_source_block           b11
_cod_database_code               7003815
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 0.32092(5) 0.21203(4) 0.21449(2) 0.02633(15) Uani 1 1 d . . .
P1 P 0.42499(10) 0.42813(9) 0.28679(5) 0.0282(2) Uani 1 1 d . . .
P2 P 0.18050(10) -0.00953(9) 0.15993(5) 0.0278(2) Uani 1 1 d . . .
O1 O 0.4010(3) 0.2606(2) 0.12381(13) 0.0347(5) Uani 1 1 d . . .
N1 N 0.2146(3) 0.1580(3) 0.30078(16) 0.0307(6) Uani 1 1 d . . .
C1 C 0.4427(4) 0.5771(4) 0.2431(2) 0.0358(8) Uani 1 1 d . . .
H1 H 0.4404 0.6503 0.2847 0.043 Uiso 1 1 calc R . .
C2 C 0.2981(5) 0.5289(4) 0.1819(2) 0.0515(10) Uani 1 1 d . . .
H2A H 0.3012 0.6100 0.1621 0.077 Uiso 1 1 calc R . .
H2B H 0.2005 0.4860 0.2051 0.077 Uiso 1 1 calc R . .
H2C H 0.2994 0.4597 0.1393 0.077 Uiso 1 1 calc R . .
C3 C 0.5988(5) 0.6447(4) 0.2102(2) 0.0481(10) Uani 1 1 d . . .
H3A H 0.6048 0.7266 0.1904 0.072 Uiso 1 1 calc R . .
H3B H 0.6028 0.5762 0.1679 0.072 Uiso 1 1 calc R . .
H3C H 0.6889 0.6744 0.2511 0.072 Uiso 1 1 calc R . .
C4 C 0.6086(4) 0.4893(4) 0.3560(2) 0.0393(8) Uani 1 1 d . . .
H4 H 0.7003 0.5141 0.3258 0.047 Uiso 1 1 calc R . .
C5 C 0.6411(5) 0.6204(5) 0.4167(2) 0.0559(11) Uani 1 1 d . . .
H5A H 0.7391 0.6477 0.4519 0.084 Uiso 1 1 calc R . .
H5B H 0.5517 0.5994 0.4464 0.084 Uiso 1 1 calc R . .
H5C H 0.6534 0.6977 0.3907 0.084 Uiso 1 1 calc R . .
C6 C 0.5981(5) 0.3680(5) 0.3944(2) 0.0551(11) Uani 1 1 d . . .
H6A H 0.6966 0.3986 0.4300 0.083 Uiso 1 1 calc R . .
H6B H 0.5836 0.2878 0.3545 0.083 Uiso 1 1 calc R . .
H6C H 0.5074 0.3401 0.4234 0.083 Uiso 1 1 calc R . .
C7 C 0.2641(4) 0.3964(3) 0.34400(19) 0.0310(7) Uani 1 1 d . . .
C8 C 0.2220(5) 0.4970(4) 0.3803(2) 0.0391(8) Uani 1 1 d . . .
H8 H 0.2871 0.5937 0.3809 0.047 Uiso 1 1 calc R . .
C9 C 0.0858(5) 0.4574(4) 0.4157(2) 0.0423(9) Uani 1 1 d . . .
H9 H 0.0575 0.5262 0.4408 0.051 Uiso 1 1 calc R . .
C10 C -0.0082(5) 0.3159(4) 0.4138(2) 0.0427(9) Uani 1 1 d . . .
H10 H -0.1026 0.2881 0.4372 0.051 Uiso 1 1 calc R . .
C11 C 0.0320(4) 0.2147(4) 0.3788(2) 0.0387(8) Uani 1 1 d . . .
H11 H -0.0337 0.1185 0.3792 0.046 Uiso 1 1 calc R . .
C12 C 0.1694(4) 0.2525(4) 0.34257(18) 0.0298(7) Uani 1 1 d . . .
C13 C 0.1526(4) 0.0174(4) 0.3099(2) 0.0323(7) Uani 1 1 d . . .
C14 C 0.1198(5) -0.0255(4) 0.3805(2) 0.0419(9) Uani 1 1 d . . .
H14 H 0.1347 0.0415 0.4259 0.050 Uiso 1 1 calc R . .
C15 C 0.0652(5) -0.1666(4) 0.3836(2) 0.0490(10) Uani 1 1 d . . .
H15 H 0.0431 -0.1947 0.4317 0.059 Uiso 1 1 calc R . .
C16 C 0.0420(5) -0.2680(4) 0.3186(2) 0.0471(10) Uani 1 1 d . . .
H16 H 0.0039 -0.3640 0.3220 0.056 Uiso 1 1 calc R . .
C17 C 0.0753(4) -0.2265(4) 0.2488(2) 0.0398(8) Uani 1 1 d . . .
H17 H 0.0608 -0.2942 0.2038 0.048 Uiso 1 1 calc R . .
C18 C 0.1304(4) -0.0853(3) 0.2445(2) 0.0310(7) Uani 1 1 d . . .
C19 C 0.2646(4) -0.1075(4) 0.0993(2) 0.0345(8) Uani 1 1 d . . .
H19 H 0.1889 -0.2099 0.0908 0.041 Uiso 1 1 calc R . .
C20 C 0.4238(5) -0.0850(4) 0.1410(2) 0.0469(9) Uani 1 1 d . . .
H20A H 0.4637 -0.1431 0.1097 0.070 Uiso 1 1 calc R . .
H20B H 0.4088 -0.1119 0.1915 0.070 Uiso 1 1 calc R . .
H20C H 0.5010 0.0143 0.1483 0.070 Uiso 1 1 calc R . .
C21 C 0.2816(5) -0.0655(4) 0.0201(2) 0.0455(9) Uani 1 1 d . . .
H21A H 0.3303 -0.1161 -0.0107 0.068 Uiso 1 1 calc R . .
H21B H 0.3493 0.0360 0.0273 0.068 Uiso 1 1 calc R . .
H21C H 0.1762 -0.0895 -0.0069 0.068 Uiso 1 1 calc R . .
C22 C -0.0089(4) -0.0415(4) 0.1051(2) 0.0368(8) Uani 1 1 d . . .
H22 H 0.0178 0.0123 0.0624 0.044 Uiso 1 1 calc R . .
C23 C -0.0985(5) 0.0180(5) 0.1574(2) 0.0491(10) Uani 1 1 d . . .
H23A H -0.2007 -0.0018 0.1285 0.074 Uiso 1 1 calc R . .
H23B H -0.0343 0.1200 0.1744 0.074 Uiso 1 1 calc R . .
H23C H -0.1174 -0.0260 0.2028 0.074 Uiso 1 1 calc R . .
C24 C -0.1153(5) -0.1953(4) 0.0677(3) 0.0507(10) Uani 1 1 d . . .
H24A H -0.2126 -0.2038 0.0389 0.076 Uiso 1 1 calc R . .
H24B H -0.1434 -0.2515 0.1080 0.076 Uiso 1 1 calc R . .
H24C H -0.0583 -0.2294 0.0321 0.076 Uiso 1 1 calc R . .
C25 C 0.5527(4) 0.3118(3) 0.11619(19) 0.0319(7) Uani 1 1 d . . .
C26 C 0.6704(4) 0.3133(4) 0.1702(2) 0.0377(8) Uani 1 1 d . . .
H26 H 0.6403 0.2749 0.2150 0.045 Uiso 1 1 calc R . .
C27 C 0.8295(5) 0.3696(4) 0.1594(2) 0.0479(10) Uani 1 1 d . . .
H27 H 0.9068 0.3700 0.1968 0.057 Uiso 1 1 calc R . .
C28 C 0.8758(5) 0.4255(5) 0.0940(3) 0.0561(12) Uani 1 1 d . . .
H28 H 0.9845 0.4644 0.0864 0.067 Uiso 1 1 calc R . .
C29 C 0.7615(5) 0.4237(4) 0.0403(2) 0.0504(11) Uani 1 1 d . . .
H29 H 0.7928 0.4615 -0.0045 0.060 Uiso 1 1 calc R . .
C30 C 0.6025(5) 0.3682(4) 0.0500(2) 0.0413(9) Uani 1 1 d . . .
H30 H 0.5264 0.3681 0.0120 0.050 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'
Ni Ni 0.3393 1.1124 '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'
P P 0.1023 0.0942 '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
O1 Ni1 N1 173.01(11) . . ?
O1 Ni1 P2 93.10(8) . . ?
N1 Ni1 P2 84.31(9) . . ?
O1 Ni1 P1 97.79(8) . . ?
N1 Ni1 P1 84.25(9) . . ?
P2 Ni1 P1 167.83(4) . . ?
C7 P1 C1 105.26(16) . . ?
C7 P1 C4 106.52(16) . . ?
C1 P1 C4 107.23(17) . . ?
C7 P1 Ni1 96.42(11) . . ?
C1 P1 Ni1 120.28(12) . . ?
C4 P1 Ni1 118.72(12) . . ?
C18 P2 C19 108.36(16) . . ?
C18 P2 C22 106.27(16) . . ?
C19 P2 C22 107.19(17) . . ?
C18 P2 Ni1 100.24(11) . . ?
C19 P2 Ni1 122.09(12) . . ?
C22 P2 Ni1 111.48(12) . . ?
C25 O1 Ni1 124.1(2) . . ?
C12 N1 C13 121.3(3) . . ?
C12 N1 Ni1 117.0(2) . . ?
C13 N1 Ni1 120.0(2) . . ?
C2 C1 C3 111.9(3) . . ?
C2 C1 P1 109.0(2) . . ?
C3 C1 P1 112.9(3) . . ?
C2 C1 H1 107.6 . . ?
C3 C1 H1 107.6 . . ?
P1 C1 H1 107.6 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 111.2(3) . . ?
C6 C4 P1 108.9(3) . . ?
C5 C4 P1 113.0(3) . . ?
C6 C4 H4 107.8 . . ?
C5 C4 H4 107.8 . . ?
P1 C4 H4 107.8 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C12 120.6(3) . . ?
C8 C7 P1 126.1(3) . . ?
C12 C7 P1 113.0(2) . . ?
C9 C8 C7 120.6(3) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 118.9(3) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C11 C10 C9 121.5(3) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
N1 C12 C11 125.1(3) . . ?
N1 C12 C7 116.9(3) . . ?
C11 C12 C7 117.9(3) . . ?
C14 C13 C18 118.2(3) . . ?
C14 C13 N1 124.3(3) . . ?
C18 C13 N1 117.4(3) . . ?
C15 C14 C13 119.6(4) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 122.1(4) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C17 C16 C15 118.8(3) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 120.0(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 121.4(3) . . ?
C17 C18 P2 127.1(3) . . ?
C13 C18 P2 111.5(2) . . ?
C20 C19 C21 111.7(3) . . ?
C20 C19 P2 110.3(3) . . ?
C21 C19 P2 110.6(2) . . ?
C20 C19 H19 108.1 . . ?
C21 C19 H19 108.1 . . ?
P2 C19 H19 108.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 110.8(3) . . ?
C24 C22 P2 114.1(3) . . ?
C23 C22 P2 109.8(2) . . ?
C24 C22 H22 107.3 . . ?
C23 C22 H22 107.3 . . ?
P2 C22 H22 107.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 C26 123.9(3) . . ?
O1 C25 C30 118.7(3) . . ?
C26 C25 C30 117.4(3) . . ?
C27 C26 C25 121.4(3) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 120.2(4) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 119.0(4) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C28 C29 C30 121.7(4) . . ?
C28 C29 H29 119.1 . . ?
C30 C29 H29 119.1 . . ?
C29 C30 C25 120.3(4) . . ?
C29 C30 H30 119.8 . . ?
C25 C30 H30 119.8 . . ?
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 O1 1.863(2) . ?
Ni1 N1 1.903(3) . ?
Ni1 P2 2.1830(9) . ?
Ni1 P1 2.2266(9) . ?
P1 C7 1.811(3) . ?
P1 C1 1.835(3) . ?
P1 C4 1.848(4) . ?
P2 C18 1.801(3) . ?
P2 C19 1.836(3) . ?
P2 C22 1.840(4) . ?
O1 C25 1.314(4) . ?
N1 C12 1.396(4) . ?
N1 C13 1.407(4) . ?
C1 C2 1.523(5) . ?
C1 C3 1.528(5) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.533(6) . ?
C4 C5 1.535(5) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.391(5) . ?
C7 C12 1.408(5) . ?
C8 C9 1.386(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.406(5) . ?
C11 H11 0.9500 . ?
C13 C14 1.401(5) . ?
C13 C18 1.407(5) . ?
C14 C15 1.389(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.395(5) . ?
C17 H17 0.9500 . ?
C19 C20 1.530(5) . ?
C19 C21 1.532(5) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.524(5) . ?
C22 C23 1.536(5) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.409(5) . ?
C25 C30 1.412(5) . ?
C26 C27 1.389(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.391(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
