#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/57/2225726.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_2225726
loop_
_publ_author_name
'Park, Ki-Min'
'Kang, Youngjin'
_publ_section_title
;
 10-(1,3-Benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[3,2-g]pyrido[3,2,1-hi]quinoline
;
_journal_coeditor_code           SJ2754
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o963
_journal_paper_doi               10.1107/S1600536810011086
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C26 H26 N2 O2 S'
_chemical_formula_moiety         'C26 H26 N2 O2 S'
_chemical_formula_sum            'C26 H26 N2 O2 S'
_chemical_formula_weight         430.55
_chemical_name_systematic
;
10-(1,3-Benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-
1H,5H,11H-pyrano[3,2-g]pyrido[3,2,1-
hi]quinoline
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 115.890(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2180(4)
_cell_length_b                   13.7079(6)
_cell_length_c                   18.6885(6)
_cell_measurement_reflns_used    7330
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.42
_cell_volume                     2124.46(15)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11820
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.179
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0358
_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)+(0.0440P)²+1.0847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0995
_reflns_number_gt                3592
_reflns_number_total             4179
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2754.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225726
_cod_database_fobs_code          2225726
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
S S1 0.19362(5) 0.61269(3) 0.29844(2) 0.02617(12) Uani d . 1 . .
O O1 0.48027(14) 0.50800(9) 0.33612(7) 0.0319(3) Uani d . 1 . .
O O2 0.57724(12) 0.38158(8) 0.41606(6) 0.0239(2) Uani d . 1 . .
N N1 0.06477(15) 0.51630(9) 0.37615(8) 0.0241(3) Uani d . 1 . .
N N2 0.79705(17) 0.09754(10) 0.57717(8) 0.0288(3) Uani d . 1 . .
C C1 -0.0975(2) 0.72222(13) 0.23952(10) 0.0329(4) Uani d . 1 . .
H H1 -0.0649 0.7633 0.2083 0.039 Uiso calc R 1 . .
C C2 -0.2464(2) 0.73381(13) 0.23991(11) 0.0362(4) Uani d . 1 . .
H H2 -0.3164 0.7841 0.2088 0.043 Uiso calc R 1 . .
C C3 -0.2958(2) 0.67300(13) 0.28511(10) 0.0311(4) Uani d . 1 . .
H H3 -0.3993 0.6820 0.2836 0.037 Uiso calc R 1 . .
C C4 -0.19676(19) 0.60012(12) 0.33190(10) 0.0272(3) Uani d . 1 . .
H H4 -0.2305 0.5594 0.3630 0.033 Uiso calc R 1 . .
C C5 -0.04516(18) 0.58726(11) 0.33269(9) 0.0236(3) Uani d . 1 . .
C C6 0.19373(18) 0.52131(11) 0.36444(9) 0.0214(3) Uani d . 1 . .
C C7 0.00332(19) 0.64804(12) 0.28657(9) 0.0252(3) Uani d . 1 . .
C C8 0.32875(18) 0.45412(11) 0.40379(9) 0.0217(3) Uani d . 1 . .
C C9 0.32966(18) 0.38973(11) 0.45990(9) 0.0232(3) Uani d . 1 . .
H H9 0.2454 0.3929 0.4761 0.028 Uiso calc R 1 . .
C C10 0.45101(18) 0.31905(11) 0.49446(9) 0.0218(3) Uani d . 1 . .
C C11 0.57626(18) 0.31438(11) 0.47106(9) 0.0210(3) Uani d . 1 . .
C C12 0.46105(18) 0.45318(11) 0.38203(9) 0.0228(3) Uani d . 1 . .
C C13 0.44984(18) 0.24849(11) 0.54910(9) 0.0233(3) Uani d . 1 . .
H H13 0.3675 0.2512 0.5666 0.028 Uiso calc R 1 . .
C C14 0.56330(18) 0.17633(11) 0.57769(9) 0.0219(3) Uani d . 1 . .
C C15 0.68816(18) 0.17229(11) 0.55131(9) 0.0219(3) Uani d . 1 . .
C C16 0.69810(18) 0.24492(11) 0.49835(9) 0.0214(3) Uani d . 1 . .
C C17 0.56258(19) 0.10207(11) 0.63862(9) 0.0243(3) Uani d . 1 . .
C C18 0.6185(2) 0.00427(12) 0.61992(10) 0.0316(4) Uani d . 1 . .
H H18A 0.6225 -0.0449 0.6596 0.038 Uiso calc R 1 . .
H H18B 0.5397 -0.0184 0.5668 0.038 Uiso calc R 1 . .
C C19 0.7820(3) 0.01276(14) 0.62120(12) 0.0402(5) Uani d . 1 . .
H H19A 0.8645 0.0174 0.6771 0.048 Uiso calc R 1 . .
H H19B 0.8040 -0.0472 0.5980 0.048 Uiso calc R 1 . .
C C20 0.9368(2) 0.09144(14) 0.56085(11) 0.0352(4) Uani d . 1 . .
H H20A 0.9156 0.0432 0.5180 0.042 Uiso calc R 1 . .
H H20B 1.0305 0.0683 0.6091 0.042 Uiso calc R 1 . .
C C21 0.9768(2) 0.18838(13) 0.53606(10) 0.0312(4) Uani d . 1 . .
H H21A 1.0613 0.1787 0.5176 0.037 Uiso calc R 1 . .
H H21B 1.0210 0.2322 0.5828 0.037 Uiso calc R 1 . .
C C22 0.82998(18) 0.23758(11) 0.46957(9) 0.0237(3) Uani d . 1 . .
C C23 0.6774(2) 0.13677(13) 0.72253(10) 0.0342(4) Uani d . 1 . .
H H23A 0.7856 0.1461 0.7258 0.051 Uiso calc R 1 . .
H H23B 0.6817 0.0877 0.7616 0.051 Uiso calc R 1 . .
H H23C 0.6383 0.1987 0.7338 0.051 Uiso calc R 1 . .
C C24 0.3950(2) 0.08820(13) 0.63537(11) 0.0342(4) Uani d . 1 . .
H H24A 0.3197 0.0660 0.5821 0.051 Uiso calc R 1 . .
H H24B 0.3572 0.1503 0.6471 0.051 Uiso calc R 1 . .
H H24D 0.4006 0.0394 0.6748 0.051 Uiso calc R 1 . .
C C25 0.7662(2) 0.17553(14) 0.39363(10) 0.0357(4) Uani d . 1 . .
H H25A 0.6727 0.2079 0.3519 0.054 Uiso calc R 1 . .
H H25D 0.7340 0.1112 0.4046 0.054 Uiso calc R 1 . .
H H25B 0.8510 0.1678 0.3758 0.054 Uiso calc R 1 . .
C C26 0.8916(2) 0.33538(12) 0.45338(10) 0.0302(4) Uani d . 1 . .
H H26D 0.8026 0.3703 0.4111 0.045 Uiso calc R 1 . .
H H26A 0.9772 0.3233 0.4367 0.045 Uiso calc R 1 . .
H H26B 0.9345 0.3749 0.5020 0.045 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'
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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 S1 C6 . . 88.83(7) ?
C11 O2 C12 . . 123.93(12) ?
C6 N1 C5 . . 110.66(13) ?
C15 N2 C20 . . 123.48(14) ?
C15 N2 C19 . . 123.93(14) ?
C20 N2 C19 . . 112.54(13) ?
C2 C1 C7 . . 117.92(16) ?
C2 C1 H1 . . 121.0 ?
C7 C1 H1 . . 121.0 ?
C1 C2 C3 . . 121.35(16) ?
C1 C2 H2 . . 119.3 ?
C3 C2 H2 . . 119.3 ?
C4 C3 C2 . . 121.03(16) ?
C4 C3 H3 . . 119.5 ?
C2 C3 H3 . . 119.5 ?
C3 C4 C5 . . 118.62(16) ?
C3 C4 H4 . . 120.7 ?
C5 C4 H4 . . 120.7 ?
N1 C5 C4 . . 124.45(14) ?
N1 C5 C7 . . 115.44(14) ?
C4 C5 C7 . . 120.11(14) ?
N1 C6 C8 . . 121.43(13) ?
N1 C6 S1 . . 115.79(11) ?
C8 C6 S1 . . 122.77(11) ?
C1 C7 C5 . . 120.97(15) ?
C1 C7 S1 . . 129.75(14) ?
C5 C7 S1 . . 109.27(11) ?
C9 C8 C12 . . 119.13(14) ?
C9 C8 C6 . . 120.73(14) ?
C12 C8 C6 . . 120.12(13) ?
C8 C9 C10 . . 122.29(14) ?
C8 C9 H9 . . 118.9 ?
C10 C9 H9 . . 118.9 ?
C11 C10 C9 . . 119.09(14) ?
C11 C10 C13 . . 117.51(14) ?
C9 C10 C13 . . 123.32(14) ?
O2 C11 C16 . . 117.57(13) ?
O2 C11 C10 . . 118.32(13) ?
C16 C11 C10 . . 124.09(14) ?
O1 C12 O2 . . 116.23(13) ?
O1 C12 C8 . . 126.66(14) ?
O2 C12 C8 . . 117.11(13) ?
C14 C13 C10 . . 122.20(14) ?
C14 C13 H13 . . 118.9 ?
C10 C13 H13 . . 118.9 ?
C13 C14 C15 . . 118.95(14) ?
C13 C14 C17 . . 121.41(14) ?
C15 C14 C17 . . 119.61(13) ?
N2 C15 C16 . . 120.40(14) ?
N2 C15 C14 . . 118.82(14) ?
C16 C15 C14 . . 120.78(13) ?
C11 C16 C15 . . 116.37(13) ?
C11 C16 C22 . . 123.68(13) ?
C15 C16 C22 . . 119.74(13) ?
C14 C17 C18 . . 107.56(12) ?
C14 C17 C24 . . 112.67(13) ?
C18 C17 C24 . . 108.46(14) ?
C14 C17 C23 . . 109.21(13) ?
C18 C17 C23 . . 110.73(14) ?
C24 C17 C23 . . 108.23(14) ?
C19 C18 C17 . . 111.36(14) ?
C19 C18 H18A . . 109.4 ?
C17 C18 H18A . . 109.4 ?
C19 C18 H18B . . 109.4 ?
C17 C18 H18B . . 109.4 ?
H18A C18 H18B . . 108.0 ?
N2 C19 C18 . . 113.16(14) ?
N2 C19 H19A . . 108.9 ?
C18 C19 H19A . . 108.9 ?
N2 C19 H19B . . 108.9 ?
C18 C19 H19B . . 108.9 ?
H19A C19 H19B . . 107.8 ?
N2 C20 C21 . . 111.93(14) ?
N2 C20 H20A . . 109.2 ?
C21 C20 H20A . . 109.2 ?
N2 C20 H20B . . 109.2 ?
C21 C20 H20B . . 109.2 ?
H20A C20 H20B . . 107.9 ?
C20 C21 C22 . . 112.88(14) ?
C20 C21 H21A . . 109.0 ?
C22 C21 H21A . . 109.0 ?
C20 C21 H21B . . 109.0 ?
C22 C21 H21B . . 109.0 ?
H21A C21 H21B . . 107.8 ?
C16 C22 C25 . . 108.57(13) ?
C16 C22 C21 . . 107.36(12) ?
C25 C22 C21 . . 110.56(14) ?
C16 C22 C26 . . 115.48(13) ?
C25 C22 C26 . . 109.08(13) ?
C21 C22 C26 . . 105.74(13) ?
C17 C23 H23A . . 109.5 ?
C17 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C17 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C17 C24 H24A . . 109.5 ?
C17 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C17 C24 H24D . . 109.5 ?
H24A C24 H24D . . 109.5 ?
H24B C24 H24D . . 109.5 ?
C22 C25 H25A . . 109.5 ?
C22 C25 H25D . . 109.5 ?
H25A C25 H25D . . 109.5 ?
C22 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
H25D C25 H25B . . 109.5 ?
C22 C26 H26D . . 109.5 ?
C22 C26 H26A . . 109.5 ?
H26D C26 H26A . . 109.5 ?
C22 C26 H26B . . 109.5 ?
H26D C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
S1 C7 . 1.7382(16) ?
S1 C6 . 1.7576(15) ?
O1 C12 . 1.2104(18) ?
O2 C11 . 1.3832(18) ?
O2 C12 . 1.3857(18) ?
N1 C6 . 1.301(2) ?
N1 C5 . 1.383(2) ?
N2 C15 . 1.367(2) ?
N2 C20 . 1.450(2) ?
N2 C19 . 1.465(2) ?
C1 C2 . 1.385(3) ?
C1 C7 . 1.399(2) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.397(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.378(2) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.402(2) ?
C4 H4 . 0.9500 ?
C5 C7 . 1.405(2) ?
C6 C8 . 1.463(2) ?
C8 C9 . 1.368(2) ?
C8 C12 . 1.444(2) ?
C9 C10 . 1.406(2) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.403(2) ?
C10 C13 . 1.410(2) ?
C11 C16 . 1.389(2) ?
C13 C14 . 1.367(2) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.438(2) ?
C14 C17 . 1.530(2) ?
C15 C16 . 1.435(2) ?
C16 C22 . 1.532(2) ?
C17 C18 . 1.530(2) ?
C17 C24 . 1.531(2) ?
C17 C23 . 1.535(2) ?
C18 C19 . 1.501(3) ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 H19A . 0.9900 ?
C19 H19B . 0.9900 ?
C20 C21 . 1.505(3) ?
C20 H20A . 0.9900 ?
C20 H20B . 0.9900 ?
C21 C22 . 1.537(2) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C22 C25 . 1.535(2) ?
C22 C26 . 1.537(2) ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
C24 H24D . 0.9800 ?
C25 H25A . 0.9800 ?
C25 H25D . 0.9800 ?
C25 H25B . 0.9800 ?
C26 H26D . 0.9800 ?
C26 H26A . 0.9800 ?
C26 H26B . 0.9800 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C7 C1 C2 C3 . . . . -0.6(3) ?
C1 C2 C3 C4 . . . . 1.0(3) ?
C2 C3 C4 C5 . . . . -0.7(2) ?
C6 N1 C5 C4 . . . . 179.25(15) ?
C6 N1 C5 C7 . . . . -0.07(19) ?
C3 C4 C5 N1 . . . . -179.17(15) ?
C3 C4 C5 C7 . . . . 0.1(2) ?
C5 N1 C6 C8 . . . . 179.91(13) ?
C5 N1 C6 S1 . . . . -0.49(17) ?
C7 S1 C6 N1 . . . . 0.69(13) ?
C7 S1 C6 C8 . . . . -179.71(13) ?
C2 C1 C7 C5 . . . . 0.0(2) ?
C2 C1 C7 S1 . . . . 178.80(13) ?
N1 C5 C7 C1 . . . . 179.56(14) ?
C4 C5 C7 C1 . . . . 0.2(2) ?
N1 C5 C7 S1 . . . . 0.57(17) ?
C4 C5 C7 S1 . . . . -178.78(12) ?
C6 S1 C7 C1 . . . . -179.54(16) ?
C6 S1 C7 C5 . . . . -0.66(12) ?
N1 C6 C8 C9 . . . . -6.1(2) ?
S1 C6 C8 C9 . . . . 174.29(12) ?
N1 C6 C8 C12 . . . . 172.08(14) ?
S1 C6 C8 C12 . . . . -7.5(2) ?
C12 C8 C9 C10 . . . . -3.3(2) ?
C6 C8 C9 C10 . . . . 174.95(14) ?
C8 C9 C10 C11 . . . . 0.3(2) ?
C8 C9 C10 C13 . . . . -176.38(15) ?
C12 O2 C11 C16 . . . . 178.12(13) ?
C12 O2 C11 C10 . . . . -0.5(2) ?
C9 C10 C11 O2 . . . . 1.6(2) ?
C13 C10 C11 O2 . . . . 178.49(13) ?
C9 C10 C11 C16 . . . . -176.89(14) ?
C13 C10 C11 C16 . . . . 0.0(2) ?
C11 O2 C12 O1 . . . . 178.43(14) ?
C11 O2 C12 C8 . . . . -2.4(2) ?
C9 C8 C12 O1 . . . . -176.73(16) ?
C6 C8 C12 O1 . . . . 5.0(2) ?
C9 C8 C12 O2 . . . . 4.2(2) ?
C6 C8 C12 O2 . . . . -174.01(13) ?
C11 C10 C13 C14 . . . . -1.4(2) ?
C9 C10 C13 C14 . . . . 175.38(15) ?
C10 C13 C14 C15 . . . . 0.1(2) ?
C10 C13 C14 C17 . . . . 178.36(14) ?
C20 N2 C15 C16 . . . . 6.7(2) ?
C19 N2 C15 C16 . . . . -170.41(16) ?
C20 N2 C15 C14 . . . . -173.69(15) ?
C19 N2 C15 C14 . . . . 9.2(2) ?
C13 C14 C15 N2 . . . . -177.07(14) ?
C17 C14 C15 N2 . . . . 4.7(2) ?
C13 C14 C15 C16 . . . . 2.5(2) ?
C17 C14 C15 C16 . . . . -175.77(13) ?
O2 C11 C16 C15 . . . . -176.04(12) ?
C10 C11 C16 C15 . . . . 2.5(2) ?
O2 C11 C16 C22 . . . . -1.4(2) ?
C10 C11 C16 C22 . . . . 177.11(14) ?
N2 C15 C16 C11 . . . . 175.88(14) ?
C14 C15 C16 C11 . . . . -3.7(2) ?
N2 C15 C16 C22 . . . . 1.0(2) ?
C14 C15 C16 C22 . . . . -178.56(13) ?
C13 C14 C17 C18 . . . . 144.64(15) ?
C15 C14 C17 C18 . . . . -37.13(19) ?
C13 C14 C17 C24 . . . . 25.2(2) ?
C15 C14 C17 C24 . . . . -156.60(14) ?
C13 C14 C17 C23 . . . . -95.14(17) ?
C15 C14 C17 C23 . . . . 83.09(17) ?
C14 C17 C18 C19 . . . . 57.26(18) ?
C24 C17 C18 C19 . . . . 179.38(14) ?
C23 C17 C18 C19 . . . . -62.00(18) ?
C15 N2 C19 C18 . . . . 12.7(2) ?
C20 N2 C19 C18 . . . . -164.74(16) ?
C17 C18 C19 N2 . . . . -46.8(2) ?
C15 N2 C20 C21 . . . . 18.0(2) ?
C19 N2 C20 C21 . . . . -164.59(16) ?
N2 C20 C21 C22 . . . . -50.0(2) ?
C11 C16 C22 C25 . . . . -85.78(18) ?
C15 C16 C22 C25 . . . . 88.70(17) ?
C11 C16 C22 C21 . . . . 154.67(14) ?
C15 C16 C22 C21 . . . . -30.85(18) ?
C11 C16 C22 C26 . . . . 37.0(2) ?
C15 C16 C22 C26 . . . . -148.48(14) ?
C20 C21 C22 C16 . . . . 54.98(18) ?
C20 C21 C22 C25 . . . . -63.29(18) ?
C20 C21 C22 C26 . . . . 178.78(14) ?
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1 ChemSpider 4287863
