#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/16/2211614.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211614
loop_
_publ_author_name
'Hong Jiang'
'Xiang-Shan Wang'
'Mei-Mei Zhang'
'Chang-Sheng Yao'
'Shu-Jiang Tu'
_publ_section_title
;5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione
 dimethylformamide solvate
;
_journal_coeditor_code           SJ2146
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o5587
_journal_page_last               o5589
_journal_paper_doi               10.1107/S1600536806046952
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C31 H26 Cl N O2 , C3 H7 N O'
_chemical_formula_moiety         'C31 H26 Cl N O2 , C3 H7 N O'
_chemical_formula_sum            'C34 H33 Cl N2 O3'
_chemical_formula_weight         553.07
_chemical_melting_point          .536E-305
_chemical_name_systematic
;
5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5H-
indeno[1,2-b]quinoline-9,11(6H,10H)-dione dimethylformamide solvate
;
_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
_cell_angle_alpha                92.100(4)
_cell_angle_beta                 99.730(4)
_cell_angle_gamma                106.147(4)
_cell_formula_units_Z            2
_cell_length_a                   10.872(2)
_cell_length_b                   11.655(2)
_cell_length_c                   11.689(2)
_cell_measurement_reflns_used    5152
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     1396.8(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13755
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.176
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5071
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0618
_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)+(0.0722P)²+1.2467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1494
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                4222
_reflns_number_total             5071
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2146.cif
_cod_data_source_block           I
_cod_database_code               2211614
_cod_database_fobs_code          2211614
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cl Cl1 0.93127(7) 0.33089(7) 0.46385(6) 0.0358(2) Uani d . 1
O O1 0.64581(18) 0.23371(18) 0.59852(17) 0.0334(5) Uani d . 1
O O2 0.83587(17) 0.56520(17) 0.29727(18) 0.0322(5) Uani d . 1
O O3 0.2632(3) 1.0365(2) 0.0912(2) 0.0625(8) Uani d . 1
N N1 0.3900(2) 0.38083(19) 0.30245(19) 0.0234(5) Uani d . 1
N N2 0.1258(3) 0.8918(2) 0.1689(2) 0.0365(6) Uani d . 1
C C1 0.4059(2) 0.3141(2) 0.3997(2) 0.0227(6) Uani d . 1
C C2 0.5245(2) 0.3047(2) 0.4479(2) 0.0222(6) Uani d . 1
C C3 0.6471(2) 0.3554(2) 0.3987(2) 0.0227(6) Uani d . 1
H H3 0.7205 0.3960 0.4640 0.027 Uiso calc R 1
C C4 0.6215(2) 0.4466(2) 0.3173(2) 0.0224(6) Uani d . 1
C C5 0.5000(2) 0.4502(2) 0.2691(2) 0.0218(5) Uani d . 1
C C6 0.5387(3) 0.2415(2) 0.5540(2) 0.0237(6) Uani d . 1
C C7 0.4204(3) 0.1914(2) 0.6075(2) 0.0269(6) Uani d . 1
H H7A 0.4157 0.2525 0.6663 0.032 Uiso calc R 1
H H7B 0.4309 0.1209 0.6485 0.032 Uiso calc R 1
C C8 0.2922(3) 0.1537(2) 0.5198(2) 0.0257(6) Uani d . 1
C C9 0.2847(3) 0.2586(2) 0.4465(2) 0.0260(6) Uani d . 1
H H9A 0.2106 0.2300 0.3803 0.031 Uiso calc R 1
H H9B 0.2663 0.3212 0.4948 0.031 Uiso calc R 1
C C10 0.2867(3) 0.0432(3) 0.4422(3) 0.0403(7) Uani d . 1
H H10A 0.3590 0.0626 0.3994 0.061 Uiso calc R 1
H H10B 0.2038 0.0184 0.3868 0.061 Uiso calc R 1
H H10C 0.2940 -0.0224 0.4906 0.061 Uiso calc R 1
C C11 0.1758(3) 0.1252(3) 0.5824(3) 0.0327(7) Uani d . 1
H H11A 0.1790 0.0587 0.6306 0.049 Uiso calc R 1
H H11B 0.0946 0.1027 0.5247 0.049 Uiso calc R 1
H H11C 0.1794 0.1961 0.6321 0.049 Uiso calc R 1
C C12 0.7169(2) 0.5381(2) 0.2706(2) 0.0230(6) Uani d . 1
C C13 0.6401(2) 0.5963(2) 0.1849(2) 0.0223(6) Uani d . 1
C C14 0.6831(3) 0.6895(2) 0.1196(2) 0.0273(6) Uani d . 1
H H14 0.7737 0.7252 0.1227 0.033 Uiso calc R 1
C C15 0.5904(3) 0.7306(3) 0.0482(2) 0.0306(6) Uani d . 1
H H15 0.6176 0.7957 0.0029 0.037 Uiso calc R 1
C C16 0.4598(3) 0.6765(3) 0.0438(3) 0.0329(7) Uani d . 1
H H16 0.3977 0.7044 -0.0060 0.039 Uiso calc R 1
C C17 0.4156(3) 0.5814(2) 0.1107(2) 0.0287(6) Uani d . 1
H H17 0.3250 0.5449 0.1065 0.034 Uiso calc R 1
C C18 0.5066(2) 0.5424(2) 0.1825(2) 0.0226(5) Uani d . 1
C C19 0.6853(3) 0.2587(2) 0.3328(2) 0.0245(6) Uani d . 1
C C20 0.8103(3) 0.2455(2) 0.3522(2) 0.0279(6) Uani d . 1
C C21 0.8433(3) 0.1634(3) 0.2831(3) 0.0352(7) Uani d . 1
H H21 0.9296 0.1568 0.2972 0.042 Uiso calc R 1
C C22 0.7516(3) 0.0916(3) 0.1944(3) 0.0385(7) Uani d . 1
H H22 0.7747 0.0366 0.1463 0.046 Uiso calc R 1
C C23 0.6248(3) 0.1000(3) 0.1756(3) 0.0365(7) Uani d . 1
H H23 0.5603 0.0490 0.1160 0.044 Uiso calc R 1
C C24 0.5928(3) 0.1826(2) 0.2438(2) 0.0295(6) Uani d . 1
H H24 0.5060 0.1879 0.2300 0.035 Uiso calc R 1
C C25 0.2614(2) 0.3835(2) 0.2466(2) 0.0210(5) Uani d . 1
C C26 0.2064(2) 0.4663(2) 0.2876(2) 0.0235(6) Uani d . 1
H H26 0.2524 0.5219 0.3526 0.028 Uiso calc R 1
C C27 0.0833(3) 0.4677(2) 0.2331(2) 0.0256(6) Uani d . 1
H H27 0.0449 0.5241 0.2617 0.031 Uiso calc R 1
C C28 0.0154(2) 0.3881(2) 0.1377(2) 0.0251(6) Uani d . 1
C C29 0.0727(3) 0.3048(2) 0.0989(2) 0.0266(6) Uani d . 1
H H29 0.0269 0.2492 0.0339 0.032 Uiso calc R 1
C C30 0.1951(2) 0.3011(2) 0.1528(2) 0.0234(6) Uani d . 1
H H30 0.2327 0.2431 0.1260 0.028 Uiso calc R 1
C C31 -0.1181(3) 0.3900(3) 0.0782(3) 0.0352(7) Uani d . 1
H H31A -0.1830 0.3488 0.1231 0.053 Uiso calc R 1
H H31B -0.1382 0.3492 -0.0004 0.053 Uiso calc R 1
H H31C -0.1200 0.4733 0.0731 0.053 Uiso calc R 1
C C32 0.2359(4) 0.9391(3) 0.1391(3) 0.0496(9) Uani d . 1
H H32 0.3009 0.8987 0.1539 0.059 Uiso calc R 1
C C33 0.0236(4) 0.9551(3) 0.1574(3) 0.0505(9) Uani d . 1
H H33A 0.0596 1.0366 0.1361 0.076 Uiso calc R 1
H H33B -0.0059 0.9591 0.2318 0.076 Uiso calc R 1
H H33C -0.0503 0.9115 0.0968 0.076 Uiso calc R 1
C C34 0.0943(3) 0.7840(3) 0.2262(3) 0.0408(8) Uani d . 1
H H34A 0.1684 0.7506 0.2362 0.061 Uiso calc R 1
H H34B 0.0179 0.7257 0.1789 0.061 Uiso calc R 1
H H34C 0.0750 0.8019 0.3027 0.061 Uiso calc R 1
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C5 N1 C1 118.0(2) y
C5 N1 C25 121.3(2) ?
C1 N1 C25 120.6(2) ?
C32 N2 C34 125.0(3) ?
C32 N2 C33 120.8(3) ?
C34 N2 C33 113.9(3) ?
C2 C1 N1 121.1(2) y
C2 C1 C9 123.0(2) ?
N1 C1 C9 115.8(2) ?
C1 C2 C6 119.6(2) ?
C1 C2 C3 123.8(2) y
C6 C2 C3 116.6(2) ?
C4 C3 C2 107.5(2) y
C4 C3 C19 109.5(2) ?
C2 C3 C19 112.5(2) ?
C4 C3 H3 109.1 ?
C2 C3 H3 109.1 ?
C19 C3 H3 109.1 ?
C5 C4 C12 108.8(2) ?
C5 C4 C3 123.4(2) y
C12 C4 C3 127.6(2) ?
C4 C5 N1 122.5(2) y
C4 C5 C18 110.7(2) ?
N1 C5 C18 126.8(2) ?
O1 C6 C2 119.9(2) ?
O1 C6 C7 121.4(2) ?
C2 C6 C7 118.7(2) ?
C6 C7 C8 114.1(2) ?
C6 C7 H7A 108.7 ?
C8 C7 H7A 108.7 ?
C6 C7 H7B 108.7 ?
C8 C7 H7B 108.7 ?
H7A C7 H7B 107.6 ?
C7 C8 C11 110.8(2) ?
C7 C8 C10 109.6(2) ?
C11 C8 C10 109.5(2) ?
C7 C8 C9 108.4(2) ?
C11 C8 C9 108.0(2) ?
C10 C8 C9 110.6(2) ?
C1 C9 C8 114.4(2) ?
C1 C9 H9A 108.7 ?
C8 C9 H9A 108.7 ?
C1 C9 H9B 108.7 ?
C8 C9 H9B 108.7 ?
H9A C9 H9B 107.6 ?
C8 C10 H10A 109.5 ?
C8 C10 H10B 109.5 ?
H10A C10 H10B 109.5 ?
C8 C10 H10C 109.5 ?
H10A C10 H10C 109.5 ?
H10B C10 H10C 109.5 ?
C8 C11 H11A 109.5 ?
C8 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
C8 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
O2 C12 C4 127.7(2) ?
O2 C12 C13 126.2(2) ?
C4 C12 C13 106.1(2) ?
C14 C13 C18 122.0(2) ?
C14 C13 C12 129.4(2) ?
C18 C13 C12 108.6(2) ?
C13 C14 C15 118.3(2) ?
C13 C14 H14 120.8 ?
C15 C14 H14 120.8 ?
C16 C15 C14 119.9(3) ?
C16 C15 H15 120.1 ?
C14 C15 H15 120.1 ?
C15 C16 C17 121.8(3) ?
C15 C16 H16 119.1 ?
C17 C16 H16 119.1 ?
C18 C17 C16 118.4(2) ?
C18 C17 H17 120.8 ?
C16 C17 H17 120.8 ?
C17 C18 C13 119.6(2) ?
C17 C18 C5 134.6(2) ?
C13 C18 C5 105.8(2) ?
C20 C19 C24 117.3(2) ?
C20 C19 C3 123.4(2) ?
C24 C19 C3 119.2(2) ?
C21 C20 C19 121.3(3) ?
C21 C20 Cl1 117.3(2) ?
C19 C20 Cl1 121.4(2) ?
C22 C21 C20 120.3(3) ?
C22 C21 H21 119.9 ?
C20 C21 H21 119.9 ?
C21 C22 C23 119.7(3) ?
C21 C22 H22 120.2 ?
C23 C22 H22 120.2 ?
C24 C23 C22 119.8(3) ?
C24 C23 H23 120.1 ?
C22 C23 H23 120.1 ?
C23 C24 C19 121.6(3) ?
C23 C24 H24 119.2 ?
C19 C24 H24 119.2 ?
C26 C25 C30 121.0(2) ?
C26 C25 N1 120.1(2) ?
C30 C25 N1 118.8(2) ?
C25 C26 C27 119.4(2) ?
C25 C26 H26 120.3 ?
C27 C26 H26 120.3 ?
C28 C27 C26 121.1(2) ?
C28 C27 H27 119.5 ?
C26 C27 H27 119.5 ?
C27 C28 C29 118.3(2) ?
C27 C28 C31 121.0(3) ?
C29 C28 C31 120.7(3) ?
C30 C29 C28 121.6(2) ?
C30 C29 H29 119.2 ?
C28 C29 H29 119.2 ?
C25 C30 C29 118.6(2) ?
C25 C30 H30 120.7 ?
C29 C30 H30 120.7 ?
C28 C31 H31A 109.5 ?
C28 C31 H31B 109.5 ?
H31A C31 H31B 109.5 ?
C28 C31 H31C 109.5 ?
H31A C31 H31C 109.5 ?
H31B C31 H31C 109.5 ?
O3 C32 N2 124.0(4) ?
O3 C32 H32 118.0 ?
N2 C32 H32 118.0 ?
N2 C33 H33A 109.5 ?
N2 C33 H33B 109.5 ?
H33A C33 H33B 109.5 ?
N2 C33 H33C 109.5 ?
H33A C33 H33C 109.5 ?
H33B C33 H33C 109.5 ?
N2 C34 H34A 109.5 ?
N2 C34 H34B 109.5 ?
H34A C34 H34B 109.5 ?
N2 C34 H34C 109.5 ?
H34A C34 H34C 109.5 ?
H34B C34 H34C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cl1 C20 1.738(3) ?
O1 C6 1.222(3) ?
O2 C12 1.224(3) ?
O3 C32 1.267(4) ?
N1 C5 1.371(3) y
N1 C1 1.414(3) y
N1 C25 1.449(3) ?
N2 C32 1.283(4) ?
N2 C34 1.429(4) ?
N2 C33 1.487(4) ?
C1 C2 1.354(4) y
C1 C9 1.500(4) ?
C2 C6 1.472(4) ?
C2 C3 1.517(3) y
C3 C4 1.505(4) y
C3 C19 1.529(4) ?
C3 H3 1.0000 ?
C4 C5 1.358(4) y
C4 C12 1.459(4) ?
C5 C18 1.499(4) ?
C6 C7 1.507(4) ?
C7 C8 1.526(4) ?
C7 H7A 0.9900 ?
C7 H7B 0.9900 ?
C8 C11 1.530(4) ?
C8 C10 1.531(4) ?
C8 C9 1.531(4) ?
C9 H9A 0.9900 ?
C9 H9B 0.9900 ?
C10 H10A 0.9800 ?
C10 H10B 0.9800 ?
C10 H10C 0.9800 ?
C11 H11A 0.9800 ?
C11 H11B 0.9800 ?
C11 H11C 0.9800 ?
C12 C13 1.498(4) ?
C13 C14 1.372(4) ?
C13 C18 1.406(4) ?
C14 C15 1.398(4) ?
C14 H14 0.9500 ?
C15 C16 1.375(4) ?
C15 H15 0.9500 ?
C16 C17 1.402(4) ?
C16 H16 0.9500 ?
C17 C18 1.374(4) ?
C17 H17 0.9500 ?
C19 C20 1.392(4) ?
C19 C24 1.401(4) ?
C20 C21 1.389(4) ?
C21 C22 1.376(5) ?
C21 H21 0.9500 ?
C22 C23 1.389(4) ?
C22 H22 0.9500 ?
C23 C24 1.381(4) ?
C23 H23 0.9500 ?
C24 H24 0.9500 ?
C25 C26 1.380(4) ?
C25 C30 1.384(4) ?
C26 C27 1.386(4) ?
C26 H26 0.9500 ?
C27 C28 1.383(4) ?
C27 H27 0.9500 ?
C28 C29 1.391(4) ?
C28 C31 1.507(4) ?
C29 C30 1.386(4) ?
C29 H29 0.9500 ?
C30 H30 0.9500 ?
C31 H31A 0.9800 ?
C31 H31B 0.9800 ?
C31 H31C 0.9800 ?
C32 H32 0.9500 ?
C33 H33A 0.9800 ?
C33 H33B 0.9800 ?
C33 H33C 0.9800 ?
C34 H34A 0.9800 ?
C34 H34B 0.9800 ?
C34 H34C 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C34 H34A O1 2_666 0.98 2.51 3.259(4) 133.2
C30 H30 O3 1_545 0.95 2.55 3.444(4) 157.3
C15 H15 O3 2_675 0.95 2.44 3.371(4) 166.9
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_publ_flag
C5 N1 C1 C2 -9.5(4) y
C25 N1 C1 C2 175.7(2) ?
C5 N1 C1 C9 168.8(2) ?
C25 N1 C1 C9 -5.9(3) ?
N1 C1 C2 C6 175.8(2) ?
C9 C1 C2 C6 -2.4(4) ?
N1 C1 C2 C3 -4.6(4) y
C9 C1 C2 C3 177.2(2) ?
C1 C2 C3 C4 17.9(3) y
C6 C2 C3 C4 -162.5(2) ?
C1 C2 C3 C19 -102.7(3) ?
C6 C2 C3 C19 76.9(3) ?
C2 C3 C4 C5 -20.0(3) y
C19 C3 C4 C5 102.5(3) ?
C2 C3 C4 C12 164.5(2) ?
C19 C3 C4 C12 -73.0(3) ?
C12 C4 C5 N1 -175.0(2) ?
C3 C4 C5 N1 8.8(4) y
C12 C4 C5 C18 2.3(3) ?
C3 C4 C5 C18 -173.9(2) ?
C1 N1 C5 C4 7.5(4) ?
C25 N1 C5 C4 -177.8(2) ?
C1 N1 C5 C18 -169.3(2) ?
C25 N1 C5 C18 5.4(4) ?
C1 C2 C6 O1 -179.3(2) ?
C3 C2 C6 O1 1.0(4) ?
C1 C2 C6 C7 -1.4(4) ?
C3 C2 C6 C7 179.0(2) ?
O1 C6 C7 C8 -152.1(2) ?
C2 C6 C7 C8 30.0(3) ?
C6 C7 C8 C11 -169.9(2) ?
C6 C7 C8 C10 69.2(3) ?
C6 C7 C8 C9 -51.6(3) ?
C2 C1 C9 C8 -22.4(4) ?
N1 C1 C9 C8 159.3(2) ?
C7 C8 C9 C1 47.8(3) ?
C11 C8 C9 C1 167.8(2) ?
C10 C8 C9 C1 -72.4(3) ?
C5 C4 C12 O2 176.5(3) ?
C3 C4 C12 O2 -7.4(4) ?
C5 C4 C12 C13 -1.8(3) ?
C3 C4 C12 C13 174.3(2) ?
O2 C12 C13 C14 -0.2(4) ?
C4 C12 C13 C14 178.1(3) ?
O2 C12 C13 C18 -177.8(3) ?
C4 C12 C13 C18 0.6(3) ?
C18 C13 C14 C15 -0.4(4) ?
C12 C13 C14 C15 -177.7(3) ?
C13 C14 C15 C16 -0.9(4) ?
C14 C15 C16 C17 1.0(4) ?
C15 C16 C17 C18 0.2(4) ?
C16 C17 C18 C13 -1.5(4) ?
C16 C17 C18 C5 176.7(3) ?
C14 C13 C18 C17 1.6(4) ?
C12 C13 C18 C17 179.4(2) ?
C14 C13 C18 C5 -177.0(2) ?
C12 C13 C18 C5 0.7(3) ?
C4 C5 C18 C17 179.7(3) ?
N1 C5 C18 C17 -3.2(5) ?
C4 C5 C18 C13 -1.9(3) ?
N1 C5 C18 C13 175.2(2) ?
C4 C3 C19 C20 110.3(3) ?
C2 C3 C19 C20 -130.2(3) ?
C4 C3 C19 C24 -66.3(3) ?
C2 C3 C19 C24 53.2(3) ?
C24 C19 C20 C21 2.5(4) ?
C3 C19 C20 C21 -174.2(2) ?
C24 C19 C20 Cl1 -177.5(2) ?
C3 C19 C20 Cl1 5.9(4) ?
C19 C20 C21 C22 -1.0(4) ?
Cl1 C20 C21 C22 178.9(2) ?
C20 C21 C22 C23 -1.3(4) ?
C21 C22 C23 C24 1.9(4) ?
C22 C23 C24 C19 -0.3(4) ?
C20 C19 C24 C23 -1.8(4) ?
C3 C19 C24 C23 175.0(2) ?
C5 N1 C25 C26 -88.0(3) ?
C1 N1 C25 C26 86.5(3) ?
C5 N1 C25 C30 92.5(3) ?
C1 N1 C25 C30 -92.9(3) ?
C30 C25 C26 C27 -0.7(4) ?
N1 C25 C26 C27 179.9(2) ?
C25 C26 C27 C28 -0.6(4) ?
C26 C27 C28 C29 1.2(4) ?
C26 C27 C28 C31 -179.8(2) ?
C27 C28 C29 C30 -0.6(4) ?
C31 C28 C29 C30 -179.6(2) ?
C26 C25 C30 C29 1.3(4) ?
N1 C25 C30 C29 -179.3(2) ?
C28 C29 C30 C25 -0.7(4) ?
C34 N2 C32 O3 -178.0(3) ?
C33 N2 C32 O3 -5.1(5) ?
