#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/11/42/4114272.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_4114272
loop_
_publ_author_name
'Yuri N. Belokon'
'Natalia B. Bespalova'
'Tatiana D. Churkina'
'Ivana Císařová'
'Marina G. Ezernitskaya'
'Syuzanna R. Harutyunyan'
'Radim Hrdina'
'Henri B. Kagan'
'Pavel Kočovský'
'Konstantin A. Kochetkov'
'Oleg V. Larionov'
'Konstantin A. Lyssenko'
'Michael North'
'Miroslav Polášek'
'Alexander S. Peregudov'
'Vladimir V. Prisyazhnyuk'
'Štěpán Vyskočil'
_publ_section_title
;
 Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed
 Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff
 Bases
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12860
_journal_page_last               12871
_journal_paper_doi               10.1021/ja035465e
_journal_volume                  125
_journal_year                    2003
_chemical_absolute_configuration syn
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C31 H29 N O2'
_chemical_formula_sum            'C31 H29 N O2'
_chemical_formula_weight         447.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.0110(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.1730(2)
_cell_length_b                   8.9400(2)
_cell_length_c                   11.6690(2)
_cell_measurement_reflns_used    9792
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1154.20(4)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17572
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.53
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       prism
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.171
_refine_diff_density_min         -0.167
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.1(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5180
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0333
_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)+(0.0381P)²+0.2128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0813
_reflns_number_gt                4888
_reflns_number_total             5180
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja035465esi20030515_062858_4.cif
_cod_data_source_block           20f
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4114272
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
N1 N 0.79951(10) 0.21906(12) 0.46708(9) 0.0196(2) Uani 1 1 d .
O1' O 0.78049(9) 0.57295(11) 0.48818(8) 0.0254(2) Uani 1 1 d .
O1 O 0.99651(8) 0.16545(13) 0.52696(8) 0.0293(2) Uani 1 1 d .
C1 C 0.57661(11) 0.39428(14) 0.48239(11) 0.0190(2) Uani 1 1 d .
C2 C 0.46221(12) 0.44554(16) 0.49214(12) 0.0253(3) Uani 1 1 d .
H2 H 0.4195 0.4969 0.4301 0.030 Uiso 1 1 calc R
C3 C 0.40756(13) 0.42329(17) 0.59205(13) 0.0293(3) Uani 1 1 d .
H3 H 0.3289 0.4560 0.5945 0.035 Uiso 1 1 calc R
C4 C 0.47008(13) 0.35376(16) 0.68517(13) 0.0280(3) Uani 1 1 d .
H4 H 0.4356 0.3444 0.7529 0.034 Uiso 1 1 calc R
C5 C 0.64770(13) 0.21654(17) 0.77719(11) 0.0268(3) Uani 1 1 d .
H5 H 0.6128 0.2107 0.8449 0.032 Uiso 1 1 calc R
C6 C 0.75562(13) 0.14981(16) 0.77206(11) 0.0280(3) Uani 1 1 d .
H6 H 0.7950 0.1001 0.8365 0.034 Uiso 1 1 calc R
C7 C 0.80840(12) 0.15552(16) 0.66945(11) 0.0247(3) Uani 1 1 d .
H7 H 0.8816 0.1073 0.6661 0.030 Uiso 1 1 calc R
C8 C 0.75323(11) 0.23138(14) 0.57416(10) 0.0189(2) Uani 1 1 d .
C9 C 0.64165(11) 0.30965(14) 0.57648(10) 0.0190(2) Uani 1 1 d .
C10 C 0.58721(12) 0.29533(15) 0.68045(11) 0.0231(3) Uani 1 1 d .
C11 C 0.91149(11) 0.18013(14) 0.44763(10) 0.0196(3) Uani 1 1 d .
C12 C 0.92925(11) 0.14986(14) 0.32215(10) 0.0182(2) Uani 1 1 d .
C13 C 0.96857(12) -0.01547(14) 0.31545(11) 0.0215(3) Uani 1 1 d .
H13A H 1.0403 -0.0333 0.3709 0.026 Uiso 1 1 calc R
H13B H 0.9048 -0.0804 0.3348 0.026 Uiso 1 1 calc R
C14 C 1.03048(12) 0.25216(15) 0.29009(12) 0.0243(3) Uani 1 1 d .
H14A H 1.0056 0.3559 0.2927 0.029 Uiso 1 1 calc R
H14B H 1.1029 0.2388 0.3455 0.029 Uiso 1 1 calc R
C15 C 0.81576(11) 0.17383(16) 0.23333(10) 0.0213(3) Uani 1 1 d .
H15A H 0.7511 0.1099 0.2523 0.026 Uiso 1 1 calc R
H15B H 0.7893 0.2769 0.2364 0.026 Uiso 1 1 calc R
C16 C 0.99532(13) -0.05115(16) 0.19305(11) 0.0271(3) Uani 1 1 d .
H16 H 1.0206 -0.1558 0.1897 0.033 Uiso 1 1 calc R
C17 C 1.09730(13) 0.05045(19) 0.16489(12) 0.0330(3) Uani 1 1 d .
H17A H 1.1171 0.0265 0.0887 0.040 Uiso 1 1 calc R
H17B H 1.1689 0.0345 0.2208 0.040 Uiso 1 1 calc R
C18 C 1.05761(13) 0.21392(18) 0.16818(12) 0.0308(3) Uani 1 1 d .
H18 H 1.1226 0.2787 0.1487 0.037 Uiso 1 1 calc R
C19 C 0.94359(14) 0.23923(19) 0.08076(12) 0.0334(3) Uani 1 1 d .
H19A H 0.9187 0.3430 0.0829 0.040 Uiso 1 1 calc R
H19B H 0.9605 0.2171 0.0032 0.040 Uiso 1 1 calc R
C20 C 0.84242(12) 0.13753(16) 0.11081(11) 0.0257(3) Uani 1 1 d .
H20 H 0.7694 0.1541 0.0553 0.031 Uiso 1 1 calc R
C21 C 0.88129(13) -0.02576(17) 0.10535(12) 0.0292(3) Uani 1 1 d .
H21A H 0.8979 -0.0494 0.0280 0.035 Uiso 1 1 calc R
H21B H 0.8169 -0.0907 0.1232 0.035 Uiso 1 1 calc R
C1' C 0.62515(11) 0.44046(14) 0.37406(10) 0.0185(2) Uani 1 1 d .
C2' C 0.72444(11) 0.53466(14) 0.38144(11) 0.0200(3) Uani 1 1 d .
C3' C 0.76656(12) 0.59034(15) 0.28059(11) 0.0217(3) Uani 1 1 d .
H3' H 0.8351 0.6504 0.2872 0.026 Uiso 1 1 calc R
C4' C 0.70670(12) 0.55601(15) 0.17379(11) 0.0225(3) Uani 1 1 d .
H4' H 0.7341 0.5950 0.1083 0.027 Uiso 1 1 calc R
C5' C 0.54157(13) 0.42546(17) 0.05047(12) 0.0287(3) Uani 1 1 d .
H5' H 0.5672 0.4662 -0.0153 0.034 Uiso 1 1 calc R
C6' C 0.44436(14) 0.33100(18) 0.03906(13) 0.0341(3) Uani 1 1 d .
H6' H 0.4031 0.3095 -0.0339 0.041 Uiso 1 1 calc R
C7' C 0.40710(13) 0.26658(17) 0.13811(13) 0.0319(3) Uani 1 1 d .
H7' H 0.3426 0.1999 0.1298 0.038 Uiso 1 1 calc R
C8' C 0.46416(12) 0.30029(16) 0.24663(12) 0.0246(3) Uani 1 1 d .
H8' H 0.4378 0.2564 0.3109 0.030 Uiso 1 1 calc R
C9' C 0.56327(11) 0.40166(14) 0.26221(11) 0.0195(3) Uani 1 1 d .
C10' C 0.60363(12) 0.46201(14) 0.16088(11) 0.0212(3) Uani 1 1 d .
H1 H 0.7472(14) 0.2362(18) 0.4049(14) 0.025(4) Uiso 1 1 d .
H1' H 0.861(2) 0.615(3) 0.4818(18) 0.063(6) Uiso 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
C11 N1 C8 128.89(11)
C11 N1 H1 115.6(10)
C8 N1 H1 115.5(10)
C2' O1' H1' 109.6(12)
C2 C1 C9 119.09(12)
C2 C1 C1' 115.24(11)
C9 C1 C1' 125.59(11)
C1 C2 C3 122.52(12)
C1 C2 H2 118.7
C3 C2 H2 118.7
C4 C3 C2 119.66(12)
C4 C3 H3 120.2
C2 C3 H3 120.2
C3 C4 C10 120.83(13)
C3 C4 H4 119.6
C10 C4 H4 119.6
C6 C5 C10 120.78(12)
C6 C5 H5 119.6
C10 C5 H5 119.6
C5 C6 C7 120.19(12)
C5 C6 H6 119.9
C7 C6 H6 119.9
C8 C7 C6 120.85(12)
C8 C7 H7 119.6
C6 C7 H7 119.6
C7 C8 N1 119.75(11)
C7 C8 C9 121.29(11)
N1 C8 C9 118.58(10)
C8 C9 C10 116.37(11)
C8 C9 C1 126.06(11)
C10 C9 C1 117.49(11)
C4 C10 C5 119.47(12)
C4 C10 C9 120.12(12)
C5 C10 C9 120.34(12)
O1 C11 N1 122.35(11)
O1 C11 C12 120.60(11)
N1 C11 C12 117.02(10)
C11 C12 C15 114.59(10)
C11 C12 C14 108.98(10)
C15 C12 C14 108.55(10)
C11 C12 C13 107.05(10)
C15 C12 C13 108.22(10)
C14 C12 C13 109.36(10)
C16 C13 C12 109.84(10)
C16 C13 H13A 109.7
C12 C13 H13A 109.7
C16 C13 H13B 109.7
C12 C13 H13B 109.7
H13A C13 H13B 108.2
C18 C14 C12 109.85(11)
C18 C14 H14A 109.7
C12 C14 H14A 109.7
C18 C14 H14B 109.7
C12 C14 H14B 109.7
H14A C14 H14B 108.2
C20 C15 C12 110.46(10)
C20 C15 H15A 109.6
C12 C15 H15A 109.6
C20 C15 H15B 109.6
C12 C15 H15B 109.6
H15A C15 H15B 108.1
C17 C16 C13 108.94(11)
C17 C16 C21 110.06(12)
C13 C16 C21 109.80(11)
C17 C16 H16 109.3
C13 C16 H16 109.3
C21 C16 H16 109.3
C16 C17 C18 109.58(11)
C16 C17 H17A 109.8
C18 C17 H17A 109.8
C16 C17 H17B 109.8
C18 C17 H17B 109.8
H17A C17 H17B 108.2
C17 C18 C14 109.37(11)
C17 C18 C19 109.95(13)
C14 C18 C19 109.31(11)
C17 C18 H18 109.4
C14 C18 H18 109.4
C19 C18 H18 109.4
C20 C19 C18 109.38(12)
C20 C19 H19A 109.8
C18 C19 H19A 109.8
C20 C19 H19B 109.8
C18 C19 H19B 109.8
H19A C19 H19B 108.2
C21 C20 C19 109.59(12)
C21 C20 C15 109.52(11)
C19 C20 C15 109.48(11)
C21 C20 H20 109.4
C19 C20 H20 109.4
C15 C20 H20 109.4
C20 C21 C16 109.14(11)
C20 C21 H21A 109.9
C16 C21 H21A 109.9
C20 C21 H21B 109.9
C16 C21 H21B 109.9
H21A C21 H21B 108.3
C2' C1' C9' 118.98(11)
C2' C1' C1 119.65(11)
C9' C1' C1 121.05(11)
O1' C2' C1' 118.23(11)
O1' C2' C3' 120.61(11)
C1' C2' C3' 121.16(11)
C4' C3' C2' 120.14(12)
C4' C3' H3' 119.9
C2' C3' H3' 119.9
C3' C4' C10' 121.21(12)
C3' C4' H4' 119.4
C10' C4' H4' 119.4
C6' C5' C10' 120.89(13)
C6' C5' H5' 119.6
C10' C5' H5' 119.6
C5' C6' C7' 119.69(13)
C5' C6' H6' 120.2
C7' C6' H6' 120.2
C8' C7' C6' 121.15(13)
C8' C7' H7' 119.4
C6' C7' H7' 119.4
C7' C8' C9' 120.80(13)
C7' C8' H8' 119.6
C9' C8' H8' 119.6
C8' C9' C10' 117.68(11)
C8' C9' C1' 122.62(12)
C10' C9' C1' 119.66(11)
C5' C10' C4' 121.48(12)
C5' C10' C9' 119.71(12)
C4' C10' C9' 118.80(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N1 C11 1.3480(16)
N1 C8 1.4217(15)
N1 H1 0.879(16)
O1' C2' 1.3577(15)
O1' H1' 0.98(2)
O1 C11 1.2375(15)
C1 C2 1.3774(18)
C1 C9 1.4435(18)
C1 C1' 1.5013(17)
C2 C3 1.4036(19)
C2 H2 0.9300
C3 C4 1.358(2)
C3 H3 0.9300
C4 C10 1.417(2)
C4 H4 0.9300
C5 C6 1.354(2)
C5 C10 1.4193(19)
C5 H5 0.9300
C6 C7 1.4074(18)
C6 H6 0.9300
C7 C8 1.3730(17)
C7 H7 0.9300
C8 C9 1.4332(17)
C9 C10 1.4367(17)
C11 C12 1.5289(17)
C12 C15 1.5367(16)
C12 C14 1.5406(17)
C12 C13 1.5471(17)
C13 C16 1.5329(17)
C13 H13A 0.9700
C13 H13B 0.9700
C14 C18 1.5338(19)
C14 H14A 0.9700
C14 H14B 0.9700
C15 C20 1.5352(17)
C15 H15A 0.9700
C15 H15B 0.9700
C16 C17 1.528(2)
C16 C21 1.5357(19)
C16 H16 0.9800
C17 C18 1.529(2)
C17 H17A 0.9700
C17 H17B 0.9700
C18 C19 1.534(2)
C18 H18 0.9800
C19 C20 1.529(2)
C19 H19A 0.9700
C19 H19B 0.9700
C20 C21 1.527(2)
C20 H20 0.9800
C21 H21A 0.9700
C21 H21B 0.9700
C1' C2' 1.3859(17)
C1' C9' 1.4319(17)
C2' C3' 1.4172(18)
C3' C4' 1.3647(18)
C3' H3' 0.9300
C4' C10' 1.4166(18)
C4' H4' 0.9300
C5' C6' 1.368(2)
C5' C10' 1.4137(18)
C5' H5' 0.9300
C6' C7' 1.405(2)
C6' H6' 0.9300
C7' C8' 1.370(2)
C7' H7' 0.9300
C8' C9' 1.4229(18)
C8' H8' 0.9300
C9' C10' 1.4287(18)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1' H1' O1 0.98(2) 1.68(2) 2.6544(13) 173(2) 2_756
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C9 C1 C2 C3 2.3(2)
C1' C1 C2 C3 -174.52(13)
C1 C2 C3 C4 2.5(2)
C2 C3 C4 C10 -3.8(2)
C10 C5 C6 C7 -1.2(2)
C5 C6 C7 C8 1.6(2)
C6 C7 C8 N1 -171.60(12)
C6 C7 C8 C9 1.27(19)
C11 N1 C8 C7 -22.29(19)
C11 N1 C8 C9 164.64(12)
C7 C8 C9 C10 -4.24(18)
N1 C8 C9 C10 168.71(11)
C7 C8 C9 C1 179.19(12)
N1 C8 C9 C1 -7.86(18)
C2 C1 C9 C8 170.87(12)
C1' C1 C9 C8 -12.6(2)
C2 C1 C9 C10 -5.66(18)
C1' C1 C9 C10 170.82(12)
C3 C4 C10 C5 -176.79(14)
C3 C4 C10 C9 0.2(2)
C6 C5 C10 C4 174.99(13)
C6 C5 C10 C9 -2.0(2)
C8 C9 C10 C4 -172.41(12)
C1 C9 C10 C4 4.47(18)
C8 C9 C10 C5 4.60(17)
C1 C9 C10 C5 -178.53(12)
C8 N1 C11 O1 -8.7(2)
C8 N1 C11 C12 169.56(12)
O1 C11 C12 C15 -179.61(12)
N1 C11 C12 C15 2.08(16)
O1 C11 C12 C14 -57.78(16)
N1 C11 C12 C14 123.91(12)
O1 C11 C12 C13 60.39(16)
N1 C11 C12 C13 -117.92(12)
C11 C12 C13 C16 -176.67(10)
C15 C12 C13 C16 59.33(13)
C14 C12 C13 C16 -58.75(13)
C11 C12 C14 C18 174.98(11)
C15 C12 C14 C18 -59.60(13)
C13 C12 C14 C18 58.27(13)
C11 C12 C15 C20 -178.85(11)
C14 C12 C15 C20 59.10(13)
C13 C12 C15 C20 -59.50(14)
C12 C13 C16 C17 60.24(14)
C12 C13 C16 C21 -60.36(15)
C13 C16 C17 C18 -61.45(14)
C21 C16 C17 C18 58.99(14)
C16 C17 C18 C14 61.23(14)
C16 C17 C18 C19 -58.81(14)
C12 C14 C18 C17 -59.63(14)
C12 C14 C18 C19 60.80(15)
C17 C18 C19 C20 59.54(15)
C14 C18 C19 C20 -60.54(16)
C18 C19 C20 C21 -60.38(15)
C18 C19 C20 C15 59.76(15)
C12 C15 C20 C21 60.50(14)
C12 C15 C20 C19 -59.68(14)
C19 C20 C21 C16 60.34(14)
C15 C20 C21 C16 -59.77(15)
C17 C16 C21 C20 -59.77(14)
C13 C16 C21 C20 60.15(15)
C2 C1 C1' C2' 114.48(13)
C9 C1 C1' C2' -62.12(17)
C2 C1 C1' C9' -58.95(16)
C9 C1 C1' C9' 124.45(13)
C9' C1' C2' O1' 178.59(11)
C1 C1' C2' O1' 5.03(17)
C9' C1' C2' C3' -1.19(18)
C1 C1' C2' C3' -174.76(12)
O1' C2' C3' C4' -177.38(12)
C1' C2' C3' C4' 2.40(19)
C2' C3' C4' C10' -1.5(2)
C10' C5' C6' C7' -1.4(2)
C5' C6' C7' C8' 2.1(2)
C6' C7' C8' C9' -0.1(2)
C7' C8' C9' C10' -2.3(2)
C7' C8' C9' C1' 179.74(13)
C2' C1' C9' C8' 177.00(12)
C1 C1' C9' C8' -9.53(19)
C2' C1' C9' C10' -0.88(18)
C1 C1' C9' C10' 172.59(11)
C6' C5' C10' C4' 178.03(13)
C6' C5' C10' C9' -1.1(2)
C3' C4' C10' C5' -179.70(13)
C3' C4' C10' C9' -0.60(19)
C8' C9' C10' C5' 2.91(18)
C1' C9' C10' C5' -179.11(12)
C8' C9' C10' C4' -176.21(12)
C1' C9' C10' C4' 1.77(18)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4418904
