#------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/73/2017301.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_2017301
loop_
_publ_author_name
'Blanco, Maria C.'
'Palma, Alirio'
'Bahsas, Ali'
'Hursthouse, Michael B.'
'Cobo, Justo'
'Glidewell, Christopher'
_publ_section_title
;
 Sterically shielded pyramidal amino groups in two
 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives
;
_journal_coeditor_code           GG3211
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o479
_journal_page_last               o482
_journal_paper_doi               10.1107/S0108270109031175
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C27 H28 Cl2 N2'
_chemical_formula_moiety         'C27 H28 Cl2 N2'
_chemical_formula_sum            'C27 H28 Cl2 N2'
_chemical_formula_weight         451.41
_chemical_name_systematic
;
4,4'-(Phenylmethylene)bis(6-allyl-3-chloro-2-methylaniline)
;
_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                94.333(2)
_cell_angle_beta                 93.634(3)
_cell_angle_gamma                102.490(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9868(2)
_cell_length_b                   10.8718(4)
_cell_length_c                   12.4359(4)
_cell_measurement_reflns_used    4344
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.96
_cell_volume                     1178.90(6)
_computing_cell_refinement
;
DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)
;
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction
;
DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)
;
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al.,  2005)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '4096 x 4096 pixels/62 x 62mm'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Nonius APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker Nonius FR591 rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0597
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15045
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.292
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.275
_refine_diff_density_min         -0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4344
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0000P)²+2.3841P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1282
_reflns_number_gt                3431
_reflns_number_total             4344
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gg3211.cif
_cod_data_source_block           I
_cod_database_code               2017301
_cod_database_fobs_code          2017301
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.4041(3) 0.7941(3) 0.7943(2) 0.0208(6) Uani d . 1 . .
H H1 0.4798 0.8406 0.8539 0.025 Uiso calc R 1 . .
C C11 0.4787(3) 0.8197(3) 0.6891(2) 0.0189(6) Uani d . 1 . .
C C12 0.5825(3) 0.9317(3) 0.6763(2) 0.0206(6) Uani d . 1 . .
C C13 0.6583(3) 0.9550(3) 0.5834(2) 0.0222(7) Uani d . 1 . .
C C14 0.6219(3) 0.8616(3) 0.4944(2) 0.0238(7) Uani d . 1 . .
C C15 0.5104(4) 0.7506(3) 0.5018(2) 0.0247(7) Uani d . 1 . .
C C16 0.4451(3) 0.7316(3) 0.5992(2) 0.0224(7) Uani d . 1 . .
H H16 0.3737 0.6544 0.6047 0.027 Uiso calc R 1 . .
Cl Cl12 0.61882(9) 1.05075(7) 0.78491(6) 0.0274(2) Uani d . 1 . .
C C17 0.7765(4) 1.0736(3) 0.5722(3) 0.0298(8) Uani d . 1 . .
H H17A 0.7956 1.1265 0.6412 0.045 Uiso calc R 1 . .
H H17B 0.7392 1.1204 0.5158 0.045 Uiso calc R 1 . .
H H17C 0.8717 1.0512 0.5523 0.045 Uiso calc R 1 . .
N N14 0.7022(3) 0.8787(3) 0.4027(2) 0.0315(7) Uani d D 1 . .
H H14A 0.666(4) 0.828(3) 0.3459(18) 0.038 Uiso d D 1 . .
H H14B 0.739(4) 0.9553(15) 0.389(3) 0.038 Uiso d D 1 . .
C C18 0.4599(4) 0.6522(3) 0.4056(3) 0.0344(8) Uani d . 1 . .
H H18A 0.4733 0.6948 0.3381 0.041 Uiso calc R 1 . .
H H18B 0.5270 0.5910 0.4064 0.041 Uiso calc R 1 . .
C C19 0.2972(4) 0.5812(3) 0.4040(3) 0.0314(8) Uani d . 1 . .
H H19 0.2222 0.6301 0.4119 0.038 Uiso calc R 1 . .
C C20 0.2488(4) 0.4582(3) 0.3928(3) 0.0405(9) Uani d . 1 . .
H H20A 0.3197 0.4054 0.3847 0.049 Uiso calc R 1 . .
H H20B 0.1428 0.4216 0.3928 0.049 Uiso calc R 1 . .
C C21 0.3800(3) 0.6541(3) 0.8120(2) 0.0201(6) Uani d . 1 . .
C C22 0.5032(3) 0.6025(3) 0.8426(2) 0.0203(6) Uani d . 1 . .
C C23 0.4926(3) 0.4743(3) 0.8538(2) 0.0202(6) Uani d . 1 . .
C C24 0.3479(3) 0.3932(3) 0.8321(2) 0.0214(7) Uani d . 1 . .
C C25 0.2204(3) 0.4406(3) 0.7990(2) 0.0235(7) Uani d . 1 . .
C C26 0.2391(3) 0.5701(3) 0.7915(2) 0.0241(7) Uani d . 1 . .
H H26 0.1520 0.6022 0.7714 0.029 Uiso calc R 1 . .
Cl Cl22 0.68425(8) 0.70518(7) 0.86805(6) 0.0272(2) Uani d . 1 . .
C C27 0.6293(4) 0.4211(3) 0.8845(2) 0.0264(7) Uani d . 1 . .
H H27A 0.7226 0.4787 0.8668 0.040 Uiso calc R 1 . .
H H27B 0.6192 0.3382 0.8444 0.040 Uiso calc R 1 . .
H H27C 0.6350 0.4119 0.9624 0.040 Uiso calc R 1 . .
N N24 0.3309(3) 0.2617(2) 0.8348(2) 0.0267(6) Uani d D 1 . .
H H24A 0.403(3) 0.241(3) 0.874(2) 0.032 Uiso d D 1 . .
H H24B 0.242(2) 0.224(3) 0.852(3) 0.032 Uiso d D 1 . .
C C28 0.0669(4) 0.3517(3) 0.7674(3) 0.0326(8) Uani d . 1 . .
H H28A 0.0031 0.3969 0.7244 0.039 Uiso calc R 1 . .
H H28B 0.0834 0.2795 0.7198 0.039 Uiso calc R 1 . .
C C29 -0.0210(4) 0.3003(3) 0.8590(3) 0.0369(9) Uani d . 1 . .
H H29 -0.1084 0.2335 0.8404 0.044 Uiso calc R 1 . .
C C30 0.0107(4) 0.3381(3) 0.9614(3) 0.0379(9) Uani d . 1 . .
H H30A 0.0970 0.4046 0.9841 0.045 Uiso calc R 1 . .
H H30B -0.0525 0.2992 1.0134 0.045 Uiso calc R 1 . .
C C31 0.2623(3) 0.8498(3) 0.8010(3) 0.0233(7) Uani d . 1 . .
C C32 0.1467(4) 0.8262(3) 0.7167(3) 0.0298(7) Uani d . 1 . .
H H32 0.1553 0.7741 0.6535 0.036 Uiso calc R 1 . .
C C33 0.0192(4) 0.8785(3) 0.7245(3) 0.0405(9) Uani d . 1 . .
H H33 -0.0604 0.8608 0.6677 0.049 Uiso calc R 1 . .
C C34 0.0090(4) 0.9566(3) 0.8157(4) 0.0458(11) Uani d . 1 . .
H H34 -0.0779 0.9926 0.8213 0.055 Uiso calc R 1 . .
C C35 0.1235(4) 0.9825(3) 0.8979(4) 0.0437(10) Uani d . 1 . .
H H35 0.1166 1.0377 0.9594 0.052 Uiso calc R 1 . .
C C36 0.2499(4) 0.9281(3) 0.8916(3) 0.0323(8) Uani d . 1 . .
H H36 0.3277 0.9449 0.9495 0.039 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'
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
C11 C1 C21 . . 110.3(2) ?
C11 C1 C31 . . 111.6(2) ?
C21 C1 C31 . . 115.4(2) ?
C11 C1 H1 . . 106.3 ?
C21 C1 H1 . . 106.3 ?
C31 C1 H1 . . 106.3 ?
C16 C11 C12 . . 115.9(3) ?
C16 C11 C1 . . 121.3(3) ?
C12 C11 C1 . . 122.8(3) ?
C13 C12 C11 . . 124.0(3) ?
C13 C12 Cl12 . . 118.5(2) ?
C11 C12 Cl12 . . 117.6(2) ?
C12 C13 C14 . . 118.0(3) ?
C12 C13 C17 . . 123.7(3) ?
C14 C13 C17 . . 118.3(3) ?
N14 C14 C15 . . 121.0(3) ?
N14 C14 C13 . . 119.3(3) ?
C15 C14 C13 . . 119.6(3) ?
C16 C15 C14 . . 118.9(3) ?
C16 C15 C18 . . 119.8(3) ?
C14 C15 C18 . . 121.3(3) ?
C11 C16 C15 . . 123.4(3) ?
C11 C16 H16 . . 118.3 ?
C15 C16 H16 . . 118.3 ?
C13 C17 H17A . . 109.5 ?
C13 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C13 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C14 N14 H14A . . 117(3) ?
C14 N14 H14B . . 117(2) ?
H14A N14 H14B . . 114(3) ?
C19 C18 C15 . . 113.8(3) ?
C19 C18 H18A . . 108.8 ?
C15 C18 H18A . . 108.8 ?
C19 C18 H18B . . 108.8 ?
C15 C18 H18B . . 108.8 ?
H18A C18 H18B . . 107.7 ?
C20 C19 C18 . . 126.1(3) ?
C20 C19 H19 . . 117.0 ?
C18 C19 H19 . . 117.0 ?
C19 C20 H20A . . 120.0 ?
C19 C20 H20B . . 120.0 ?
H20A C20 H20B . . 120.0 ?
C26 C21 C22 . . 116.4(3) ?
C26 C21 C1 . . 122.9(3) ?
C22 C21 C1 . . 120.6(3) ?
C21 C22 C23 . . 124.2(3) ?
C21 C22 Cl22 . . 118.0(2) ?
C23 C22 Cl22 . . 117.8(2) ?
C22 C23 C24 . . 117.2(3) ?
C22 C23 C27 . . 122.8(3) ?
C24 C23 C27 . . 119.9(3) ?
C23 C24 C25 . . 120.6(3) ?
C23 C24 N24 . . 120.2(3) ?
C25 C24 N24 . . 119.0(3) ?
C26 C25 C24 . . 118.9(3) ?
C26 C25 C28 . . 120.4(3) ?
C24 C25 C28 . . 120.6(3) ?
C21 C26 C25 . . 122.5(3) ?
C21 C26 H26 . . 118.7 ?
C25 C26 H26 . . 118.7 ?
C23 C27 H27A . . 109.5 ?
C23 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C23 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C24 N24 H24A . . 114(2) ?
C24 N24 H24B . . 113(2) ?
H24A N24 H24B . . 111(3) ?
C29 C28 C25 . . 116.0(3) ?
C29 C28 H28A . . 108.3 ?
C25 C28 H28A . . 108.3 ?
C29 C28 H28B . . 108.3 ?
C25 C28 H28B . . 108.3 ?
H28A C28 H28B . . 107.4 ?
C30 C29 C28 . . 126.5(3) ?
C30 C29 H29 . . 116.8 ?
C28 C29 H29 . . 116.8 ?
C29 C30 H30A . . 120.0 ?
C29 C30 H30B . . 120.0 ?
H30A C30 H30B . . 120.0 ?
C36 C31 C32 . . 119.2(3) ?
C36 C31 C1 . . 119.3(3) ?
C32 C31 C1 . . 121.5(3) ?
C33 C32 C31 . . 120.5(3) ?
C33 C32 H32 . . 119.8 ?
C31 C32 H32 . . 119.8 ?
C34 C33 C32 . . 119.5(4) ?
C34 C33 H33 . . 120.3 ?
C32 C33 H33 . . 120.3 ?
C35 C34 C33 . . 120.4(3) ?
C35 C34 H34 . . 119.8 ?
C33 C34 H34 . . 119.8 ?
C34 C35 C36 . . 120.3(4) ?
C34 C35 H35 . . 119.8 ?
C36 C35 H35 . . 119.8 ?
C31 C36 C35 . . 120.1(4) ?
C31 C36 H36 . . 119.9 ?
C35 C36 H36 . . 119.9 ?
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
C1 C11 . 1.524(4) ?
C1 C21 . 1.525(4) ?
C1 C31 . 1.529(4) ?
C1 H1 . 1.0000 ?
C11 C16 . 1.388(4) ?
C11 C12 . 1.391(4) ?
C12 C13 . 1.391(4) ?
C12 Cl12 . 1.761(3) ?
C13 C14 . 1.415(4) ?
C13 C17 . 1.505(4) ?
C14 N14 . 1.390(4) ?
C14 C15 . 1.405(4) ?
C15 C16 . 1.390(4) ?
C15 C18 . 1.520(4) ?
C16 H16 . 0.9500 ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
N14 H14A . 0.86(3) ?
N14 H14B . 0.86(2) ?
C18 C19 . 1.496(5) ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 C20 . 1.307(5) ?
C19 H19 . 0.9500 ?
C20 H20A . 0.9500 ?
C20 H20B . 0.9500 ?
C21 C26 . 1.388(4) ?
C21 C22 . 1.390(4) ?
C22 C23 . 1.395(4) ?
C22 Cl22 . 1.758(3) ?
C23 C24 . 1.402(4) ?
C23 C27 . 1.506(4) ?
C24 C25 . 1.405(4) ?
C24 N24 . 1.408(4) ?
C25 C26 . 1.393(4) ?
C25 C28 . 1.512(4) ?
C26 H26 . 0.9500 ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
N24 H24A . 0.87(3) ?
N24 H24B . 0.86(2) ?
C28 C29 . 1.501(5) ?
C28 H28A . 0.9900 ?
C28 H28B . 0.9900 ?
C29 C30 . 1.303(5) ?
C29 H29 . 0.9500 ?
C30 H30A . 0.9500 ?
C30 H30B . 0.9500 ?
C31 C36 . 1.386(5) ?
C31 C32 . 1.396(4) ?
C32 C33 . 1.391(5) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.384(6) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.372(6) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.393(5) ?
C35 H35 . 0.9500 ?
C36 H36 . 0.9500 ?
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
_geom_hbond_publ_flag
N14 H14A N24 2_666 0.86(3) 2.39(2) 3.186(4) 155(3) no
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
C21 C1 C11 C16 . . . . 34.9(4) ?
C31 C1 C11 C16 . . . . -94.7(3) ?
C21 C1 C11 C12 . . . . -145.7(3) ?
C31 C1 C11 C12 . . . . 84.7(3) ?
C16 C11 C12 C13 . . . . -4.1(4) ?
C1 C11 C12 C13 . . . . 176.5(3) ?
C16 C11 C12 Cl12 . . . . 175.7(2) ?
C1 C11 C12 Cl12 . . . . -3.7(4) ?
C11 C12 C13 C14 . . . . 3.3(4) ?
Cl12 C12 C13 C14 . . . . -176.5(2) ?
C11 C12 C13 C17 . . . . -176.7(3) ?
Cl12 C12 C13 C17 . . . . 3.5(4) ?
C12 C13 C14 N14 . . . . -176.2(3) ?
C17 C13 C14 N14 . . . . 3.8(4) ?
C12 C13 C14 C15 . . . . 0.9(4) ?
C17 C13 C14 C15 . . . . -179.1(3) ?
N14 C14 C15 C16 . . . . 173.1(3) ?
C13 C14 C15 C16 . . . . -4.0(4) ?
N14 C14 C15 C18 . . . . -7.3(5) ?
C13 C14 C15 C18 . . . . 175.6(3) ?
C12 C11 C16 C15 . . . . 0.7(4) ?
C1 C11 C16 C15 . . . . -179.8(3) ?
C14 C15 C16 C11 . . . . 3.2(5) ?
C18 C15 C16 C11 . . . . -176.4(3) ?
C16 C15 C18 C19 . . . . 30.1(4) ?
C14 C15 C18 C19 . . . . -149.5(3) ?
C15 C18 C19 C20 . . . . -128.9(4) ?
C11 C1 C21 C26 . . . . -101.8(3) ?
C31 C1 C21 C26 . . . . 25.7(4) ?
C11 C1 C21 C22 . . . . 73.4(3) ?
C31 C1 C21 C22 . . . . -159.1(3) ?
C26 C21 C22 C23 . . . . -0.2(4) ?
C1 C21 C22 C23 . . . . -175.7(3) ?
C26 C21 C22 Cl22 . . . . 179.3(2) ?
C1 C21 C22 Cl22 . . . . 3.8(4) ?
C21 C22 C23 C24 . . . . 0.3(4) ?
Cl22 C22 C23 C24 . . . . -179.3(2) ?
C21 C22 C23 C27 . . . . 178.5(3) ?
Cl22 C22 C23 C27 . . . . -1.1(4) ?
C22 C23 C24 C25 . . . . 0.9(4) ?
C27 C23 C24 C25 . . . . -177.4(3) ?
C22 C23 C24 N24 . . . . 175.8(3) ?
C27 C23 C24 N24 . . . . -2.5(4) ?
C23 C24 C25 C26 . . . . -2.0(4) ?
N24 C24 C25 C26 . . . . -177.0(3) ?
C23 C24 C25 C28 . . . . 175.3(3) ?
N24 C24 C25 C28 . . . . 0.3(4) ?
C22 C21 C26 C25 . . . . -1.0(4) ?
C1 C21 C26 C25 . . . . 174.4(3) ?
C24 C25 C26 C21 . . . . 2.1(5) ?
C28 C25 C26 C21 . . . . -175.2(3) ?
C26 C25 C28 C29 . . . . -105.9(4) ?
C24 C25 C28 C29 . . . . 76.8(4) ?
C25 C28 C29 C30 . . . . 10.7(5) ?
C11 C1 C31 C36 . . . . -127.6(3) ?
C21 C1 C31 C36 . . . . 105.5(3) ?
C11 C1 C31 C32 . . . . 50.7(4) ?
C21 C1 C31 C32 . . . . -76.2(4) ?
C36 C31 C32 C33 . . . . -1.4(5) ?
C1 C31 C32 C33 . . . . -179.7(3) ?
C31 C32 C33 C34 . . . . 1.4(5) ?
C32 C33 C34 C35 . . . . 0.0(5) ?
C33 C34 C35 C36 . . . . -1.4(5) ?
C32 C31 C36 C35 . . . . 0.0(5) ?
C1 C31 C36 C35 . . . . 178.3(3) ?
C34 C35 C36 C31 . . . . 1.4(5) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 24726506
