#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:33:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180305 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/19/7151954.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_7151954
loop_
_publ_author_name
'Yang, Yan-Fang'
'Shu, Xing-Zhong'
'Wei, Hai-Long'
'Luo, Jian-Yi'
'Ali, Shaukat'
'Liu, Xue-Yuan'
'Liang, Yong-Min'
_publ_section_title
;
 FeCl(3)-Mediated synthesis of polysubstituted tetrahydroquinolines via
 domino Mannich/Friedel-Crafts reactions of aldehydes and amines.
;
_journal_issue                   14
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              5028
_journal_page_last               5033
_journal_paper_doi               10.1039/c1ob05646h
_journal_volume                  9
_journal_year                    2011
_chemical_formula_sum            'C30 H28 Cl2 N2'
_chemical_formula_weight         487.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.1730(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4142(9)
_cell_length_b                   16.6090(17)
_cell_length_c                   16.8295(17)
_cell_measurement_reflns_used    3405
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.43
_cell_measurement_theta_min      2.45
_cell_volume                     2539.7(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12994
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.277
_exptl_absorpt_correction_T_max  0.9265
_exptl_absorpt_correction_T_min  0.9093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.199
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0400
_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)+(0.0458P)²+0.5208P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                3442
_reflns_number_total             4692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ob05646h.txt
_cod_data_source_block           p21n
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7151954
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C -0.0502(2) 0.15425(11) 0.12786(11) 0.0411(4) Uani 1 1 d . . .
C2 C -0.1716(2) 0.15331(11) 0.16020(12) 0.0452(5) Uani 1 1 d . . .
H2 H -0.2046 0.1050 0.1769 0.054 Uiso 1 1 calc R . .
C3 C -0.2434(2) 0.22499(12) 0.16742(12) 0.0467(5) Uani 1 1 d . . .
C4 C -0.1888(2) 0.29555(12) 0.14085(13) 0.0515(5) Uani 1 1 d . . .
H4 H -0.2354 0.3443 0.1444 0.062 Uiso 1 1 calc R . .
C5 C -0.0681(2) 0.29428(11) 0.10975(12) 0.0492(5) Uani 1 1 d . . .
H5 H -0.0353 0.3426 0.0929 0.059 Uiso 1 1 calc R . .
C6 C 0.0079(2) 0.22352(11) 0.10225(11) 0.0408(4) Uani 1 1 d . . .
C7 C 0.1363(2) 0.22130(11) 0.06391(11) 0.0410(4) Uani 1 1 d . . .
H7 H 0.1889 0.1711 0.0830 0.049 Uiso 1 1 calc R . .
C8 C 0.0834(2) 0.21439(11) -0.03133(12) 0.0438(4) Uani 1 1 d . . .
H8 H 0.0272 0.1641 -0.0430 0.053 Uiso 1 1 calc R . .
C9 C 0.2184(2) 0.20333(11) -0.06539(12) 0.0441(5) Uani 1 1 d . . .
H9 H 0.1839 0.2053 -0.1256 0.053 Uiso 1 1 calc R . .
C10 C 0.3374(2) 0.30823(11) 0.03424(12) 0.0425(4) Uani 1 1 d . . .
C11 C 0.4386(2) 0.37186(11) 0.05651(13) 0.0485(5) Uani 1 1 d . . .
H11 H 0.4947 0.3876 0.0212 0.058 Uiso 1 1 calc R . .
C12 C 0.4548(2) 0.41088(11) 0.13065(13) 0.0495(5) Uani 1 1 d . . .
C13 C 0.3778(2) 0.38911(12) 0.18576(13) 0.0536(5) Uani 1 1 d . . .
H13 H 0.3941 0.4142 0.2367 0.064 Uiso 1 1 calc R . .
C14 C 0.2746(2) 0.32810(12) 0.16278(12) 0.0493(5) Uani 1 1 d . . .
H14 H 0.2196 0.3135 0.1991 0.059 Uiso 1 1 calc R . .
C15 C 0.2497(2) 0.28800(11) 0.08843(11) 0.0419(4) Uani 1 1 d . . .
C16 C 0.2897(2) 0.12006(12) -0.04195(14) 0.0591(6) Uani 1 1 d . . .
H16A H 0.3320 0.1188 0.0171 0.071 Uiso 1 1 calc R . .
H16B H 0.2129 0.0795 -0.0551 0.071 Uiso 1 1 calc R . .
C17 C 0.4073(2) 0.09725(11) -0.08340(13) 0.0467(5) Uani 1 1 d . . .
C18 C 0.5530(3) 0.09223(14) -0.04045(15) 0.0625(6) Uani 1 1 d . . .
H18 H 0.5807 0.1048 0.0153 0.075 Uiso 1 1 calc R . .
C19 C 0.6590(3) 0.06861(16) -0.07930(19) 0.0776(8) Uani 1 1 d . . .
H19 H 0.7568 0.0646 -0.0493 0.093 Uiso 1 1 calc R . .
C20 C 0.6206(3) 0.05116(15) -0.1612(2) 0.0807(8) Uani 1 1 d . . .
H20 H 0.6921 0.0359 -0.1873 0.097 Uiso 1 1 calc R . .
C21 C 0.4773(3) 0.05619(15) -0.20454(16) 0.0806(8) Uani 1 1 d . . .
H21 H 0.4507 0.0446 -0.2606 0.097 Uiso 1 1 calc R . .
C22 C 0.3712(3) 0.07841(14) -0.16593(14) 0.0651(6) Uani 1 1 d . . .
H22 H 0.2733 0.0807 -0.1962 0.078 Uiso 1 1 calc R . .
C23 C -0.0200(2) 0.28100(12) -0.07411(12) 0.0482(5) Uani 1 1 d . . .
C24 C -0.1583(2) 0.25922(15) -0.12226(13) 0.0612(6) Uani 1 1 d . . .
H24 H -0.1845 0.2051 -0.1269 0.073 Uiso 1 1 calc R . .
C25 C -0.2580(3) 0.3162(2) -0.16346(15) 0.0790(8) Uani 1 1 d . . .
H25 H -0.3493 0.3000 -0.1961 0.095 Uiso 1 1 calc R . .
C26 C -0.2227(3) 0.3961(2) -0.15632(17) 0.0859(9) Uani 1 1 d . . .
H26 H -0.2904 0.4345 -0.1831 0.103 Uiso 1 1 calc R . .
C27 C -0.0870(3) 0.41950(16) -0.10952(17) 0.0814(8) Uani 1 1 d . . .
H27 H -0.0624 0.4738 -0.1049 0.098 Uiso 1 1 calc R . .
C28 C 0.0141(3) 0.36250(13) -0.06886(14) 0.0656(6) Uani 1 1 d . . .
H28 H 0.1061 0.3792 -0.0376 0.079 Uiso 1 1 calc R . .
C29 C -0.4370(3) 0.15729(15) 0.21763(15) 0.0711(7) Uani 1 1 d . . .
H29A H -0.4661 0.1252 0.1686 0.107 Uiso 1 1 calc R . .
H29B H -0.5225 0.1726 0.2349 0.107 Uiso 1 1 calc R . .
H29C H -0.3719 0.1267 0.2604 0.107 Uiso 1 1 calc R . .
C30 C 0.4138(3) 0.29163(14) -0.09368(14) 0.0667(7) Uani 1 1 d . . .
H30A H 0.3965 0.3470 -0.1095 0.100 Uiso 1 1 calc R . .
H30B H 0.3901 0.2583 -0.1420 0.100 Uiso 1 1 calc R . .
H30C H 0.5155 0.2844 -0.0650 0.100 Uiso 1 1 calc R . .
Cl1 Cl 0.02797(6) 0.05979(3) 0.11802(4) 0.06205(18) Uani 1 1 d . . .
Cl2 Cl 0.58041(7) 0.49069(3) 0.15414(4) 0.0702(2) Uani 1 1 d . . .
N1 N 0.32141(18) 0.26906(10) -0.03974(10) 0.0501(4) Uani 1 1 d . . .
N2 N -0.3624(2) 0.22842(13) 0.20098(12) 0.0621(5) Uani 1 1 d . . .
H1N H -0.410(3) 0.2731(15) 0.1933(15) 0.079(8) 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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C6 124.16(17) . . ?
C2 C1 Cl1 115.74(14) . . ?
C6 C1 Cl1 120.08(14) . . ?
C1 C2 C3 119.58(17) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
N2 C3 C2 122.41(19) . . ?
N2 C3 C4 120.06(19) . . ?
C2 C3 C4 117.52(17) . . ?
C5 C4 C3 121.32(18) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 122.85(18) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C5 114.56(16) . . ?
C1 C6 C7 122.35(16) . . ?
C5 C6 C7 122.96(16) . . ?
C6 C7 C15 116.73(15) . . ?
C6 C7 C8 111.46(15) . . ?
C15 C7 C8 110.31(14) . . ?
C6 C7 H7 105.8 . . ?
C15 C7 H7 105.8 . . ?
C8 C7 H7 105.8 . . ?
C23 C8 C9 113.53(15) . . ?
C23 C8 C7 115.25(15) . . ?
C9 C8 C7 108.70(15) . . ?
C23 C8 H8 106.2 . . ?
C9 C8 H8 106.2 . . ?
C7 C8 H8 106.2 . . ?
N1 C9 C8 110.70(15) . . ?
N1 C9 C16 112.77(17) . . ?
C8 C9 C16 111.02(15) . . ?
N1 C9 H9 107.4 . . ?
C8 C9 H9 107.4 . . ?
C16 C9 H9 107.4 . . ?
N1 C10 C11 120.11(17) . . ?
N1 C10 C15 121.60(17) . . ?
C11 C10 C15 118.25(17) . . ?
C12 C11 C10 120.07(18) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 122.50(19) . . ?
C13 C12 Cl2 119.58(16) . . ?
C11 C12 Cl2 117.92(16) . . ?
C12 C13 C14 117.46(19) . . ?
C12 C13 H13 121.3 . . ?
C14 C13 H13 121.3 . . ?
C15 C14 C13 123.01(18) . . ?
C15 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C14 C15 C10 118.53(17) . . ?
C14 C15 C7 122.54(16) . . ?
C10 C15 C7 118.89(16) . . ?
C17 C16 C9 115.53(17) . . ?
C17 C16 H16A 108.4 . . ?
C9 C16 H16A 108.4 . . ?
C17 C16 H16B 108.4 . . ?
C9 C16 H16B 108.4 . . ?
H16A C16 H16B 107.5 . . ?
C18 C17 C22 117.7(2) . . ?
C18 C17 C16 121.7(2) . . ?
C22 C17 C16 120.5(2) . . ?
C17 C18 C19 120.8(2) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C20 C19 C18 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 119.6(2) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 120.3(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 121.3(2) . . ?
C21 C22 H22 119.4 . . ?
C17 C22 H22 119.4 . . ?
C24 C23 C28 117.2(2) . . ?
C24 C23 C8 118.14(19) . . ?
C28 C23 C8 124.68(19) . . ?
C25 C24 C23 121.5(2) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 119.7(2) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 120.4(3) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 121.0(2) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
N2 C29 H29A 109.5 . . ?
N2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N1 C30 H30A 109.5 . . ?
N1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C10 N1 C9 122.09(15) . . ?
C10 N1 C30 119.90(17) . . ?
C9 N1 C30 117.98(16) . . ?
C3 N2 C29 122.3(2) . . ?
C3 N2 H1N 114.9(17) . . ?
C29 N2 H1N 118.4(17) . . ?
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 C2 1.389(3) . ?
C1 C6 1.390(2) . ?
C1 Cl1 1.7588(18) . ?
C2 C3 1.390(3) . ?
C2 H2 0.9300 . ?
C3 N2 1.382(2) . ?
C3 C4 1.399(3) . ?
C4 C5 1.370(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.399(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.512(2) . ?
C7 C15 1.519(3) . ?
C7 C8 1.553(3) . ?
C7 H7 0.9800 . ?
C8 C23 1.524(3) . ?
C8 C9 1.536(3) . ?
C8 H8 0.9800 . ?
C9 N1 1.449(2) . ?
C9 C16 1.543(3) . ?
C9 H9 0.9800 . ?
C10 N1 1.378(2) . ?
C10 C11 1.407(3) . ?
C10 C15 1.421(2) . ?
C11 C12 1.379(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.366(3) . ?
C12 Cl2 1.751(2) . ?
C13 C14 1.387(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(3) . ?
C14 H14 0.9300 . ?
C16 C17 1.504(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.376(3) . ?
C17 C22 1.377(3) . ?
C18 C19 1.385(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.361(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.358(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.377(3) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.389(3) . ?
C23 C28 1.389(3) . ?
C24 C25 1.385(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.366(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.370(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.389(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 N2 1.439(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 N1 1.461(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
N2 H1N 0.86(2) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.8(3) . . . . ?
Cl1 C1 C2 C3 -177.74(15) . . . . ?
C1 C2 C3 N2 -178.32(19) . . . . ?
C1 C2 C3 C4 0.3(3) . . . . ?
N2 C3 C4 C5 177.91(19) . . . . ?
C2 C3 C4 C5 -0.7(3) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C2 C1 C6 C5 -1.3(3) . . . . ?
Cl1 C1 C6 C5 177.14(14) . . . . ?
C2 C1 C6 C7 -177.25(17) . . . . ?
Cl1 C1 C6 C7 1.2(2) . . . . ?
C4 C5 C6 C1 0.9(3) . . . . ?
C4 C5 C6 C7 176.75(18) . . . . ?
C1 C6 C7 C15 -140.76(18) . . . . ?
C5 C6 C7 C15 43.7(3) . . . . ?
C1 C6 C7 C8 91.3(2) . . . . ?
C5 C6 C7 C8 -84.3(2) . . . . ?
C6 C7 C8 C23 57.3(2) . . . . ?
C15 C7 C8 C23 -74.1(2) . . . . ?
C6 C7 C8 C9 -174.02(14) . . . . ?
C15 C7 C8 C9 54.62(19) . . . . ?
C23 C8 C9 N1 72.9(2) . . . . ?
C7 C8 C9 N1 -56.79(19) . . . . ?
C23 C8 C9 C16 -161.06(18) . . . . ?
C7 C8 C9 C16 69.3(2) . . . . ?
N1 C10 C11 C12 -179.82(18) . . . . ?
C15 C10 C11 C12 2.4(3) . . . . ?
C10 C11 C12 C13 1.5(3) . . . . ?
C10 C11 C12 Cl2 -178.98(14) . . . . ?
C11 C12 C13 C14 -3.5(3) . . . . ?
Cl2 C12 C13 C14 177.02(15) . . . . ?
C12 C13 C14 C15 1.6(3) . . . . ?
C13 C14 C15 C10 2.3(3) . . . . ?
C13 C14 C15 C7 -179.96(18) . . . . ?
N1 C10 C15 C14 178.08(18) . . . . ?
C11 C10 C15 C14 -4.2(3) . . . . ?
N1 C10 C15 C7 0.2(3) . . . . ?
C11 C10 C15 C7 177.97(16) . . . . ?
C6 C7 C15 C14 26.3(3) . . . . ?
C8 C7 C15 C14 154.85(17) . . . . ?
C6 C7 C15 C10 -155.92(16) . . . . ?
C8 C7 C15 C10 -27.4(2) . . . . ?
N1 C9 C16 C17 -64.7(2) . . . . ?
C8 C9 C16 C17 170.42(18) . . . . ?
C9 C16 C17 C18 110.5(2) . . . . ?
C9 C16 C17 C22 -71.3(3) . . . . ?
C22 C17 C18 C19 -0.3(3) . . . . ?
C16 C17 C18 C19 177.9(2) . . . . ?
C17 C18 C19 C20 1.0(4) . . . . ?
C18 C19 C20 C21 -0.7(4) . . . . ?
C19 C20 C21 C22 -0.3(4) . . . . ?
C20 C21 C22 C17 1.1(4) . . . . ?
C18 C17 C22 C21 -0.7(3) . . . . ?
C16 C17 C22 C21 -179.0(2) . . . . ?
C9 C8 C23 C24 112.1(2) . . . . ?
C7 C8 C23 C24 -121.65(19) . . . . ?
C9 C8 C23 C28 -67.6(3) . . . . ?
C7 C8 C23 C28 58.7(3) . . . . ?
C28 C23 C24 C25 0.1(3) . . . . ?
C8 C23 C24 C25 -179.59(19) . . . . ?
C23 C24 C25 C26 -1.1(4) . . . . ?
C24 C25 C26 C27 1.3(4) . . . . ?
C25 C26 C27 C28 -0.5(4) . . . . ?
C26 C27 C28 C23 -0.5(4) . . . . ?
C24 C23 C28 C27 0.7(3) . . . . ?
C8 C23 C28 C27 -179.7(2) . . . . ?
C11 C10 N1 C9 -179.88(17) . . . . ?
C15 C10 N1 C9 -2.2(3) . . . . ?
C11 C10 N1 C30 2.3(3) . . . . ?
C15 C10 N1 C30 -179.95(18) . . . . ?
C8 C9 N1 C10 31.4(2) . . . . ?
C16 C9 N1 C10 -93.6(2) . . . . ?
C8 C9 N1 C30 -150.74(18) . . . . ?
C16 C9 N1 C30 84.2(2) . . . . ?
C2 C3 N2 C29 -11.1(3) . . . . ?
C4 C3 N2 C29 170.3(2) . . . . ?
