#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/36/2223621.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_2223621
loop_
_publ_author_name
'Thenmozhi, M.'
'Kavitha, T.'
'Ponnuswamy, S.'
'Jamesh, M.'
'Ponnuswamy, M. N.'
_publ_section_title
c-3,t-3-Dimethyl-4-oxo-r-2,c-6-diphenylpiperidine-1-carboxamide
_journal_coeditor_code           BT5059
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2808
_journal_paper_doi               10.1107/S1600536809041579
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C26 H26 N2 O2'
_chemical_formula_moiety         'C26 H26 N2 O2'
_chemical_formula_sum            'C26 H26 N2 O2'
_chemical_formula_weight         398.49
_chemical_name_systematic
c-3,t-3-Dimethyl-4-oxo-r-2,c-6-diphenylpiperidine-1-carboxamide
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.303(2)
_cell_angle_beta                 90.1580(10)
_cell_angle_gamma                113.1910(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6648(2)
_cell_length_b                   10.7938(3)
_cell_length_c                   11.4233(3)
_cell_measurement_reflns_used    6362
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.3
_cell_measurement_theta_min      2.1.
_cell_volume                     1069.91(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXS97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Kappa APEXII area-detector'
_diffrn_measurement_method       'ω and φ'
_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  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26776
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.25
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.9922
_exptl_absorpt_correction_T_min  0.9907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.156
_refine_ls_extinction_coef       0.034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXS97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         6362
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0562P)²+0.1478P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1144
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                4483
_reflns_number_total             6362
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5059.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               2223621
_cod_database_fobs_code          2223621
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 C2 0.44729(12) 0.65312(11) 0.17958(10) 0.0397(2) Uani d . 1 . .
H H2 0.4661 0.5889 0.1148 0.048 Uiso calc R 1 . .
C C3 0.27465(12) 0.60768(12) 0.17189(11) 0.0464(3) Uani d . 1 . .
C C4 0.23264(13) 0.71273(13) 0.25470(11) 0.0482(3) Uani d . 1 . .
C C5 0.34974(13) 0.85807(13) 0.28686(12) 0.0486(3) Uani d . 1 . .
H H5A 0.3981 0.8718 0.3656 0.058 Uiso calc R 1 . .
H H5B 0.2979 0.9197 0.2936 0.058 Uiso calc R 1 . .
C C6 0.47423(12) 0.90306(11) 0.20204(10) 0.0414(2) Uani d . 1 . .
H H6 0.4324 0.9268 0.1356 0.050 Uiso calc R 1 . .
C C7 0.60634(12) 0.79834(11) 0.05299(10) 0.0397(2) Uani d . 1 . .
C C8 0.78032(12) 0.96713(11) -0.05439(10) 0.0404(2) Uani d . 1 . .
C C9 0.77964(15) 0.88317(13) -0.16236(11) 0.0503(3) Uani d . 1 . .
H H9 0.7057 0.7938 -0.1843 0.060 Uiso calc R 1 . .
C C10 0.89077(17) 0.93379(15) -0.23770(13) 0.0628(4) Uani d . 1 . .
H H10 0.8916 0.8770 -0.3101 0.075 Uiso calc R 1 . .
C C11 0.99929(16) 1.06556(15) -0.20790(14) 0.0628(4) Uani d . 1 . .
H H11 1.0729 1.0980 -0.2596 0.075 Uiso calc R 1 . .
C C12 0.99842(15) 1.14898(14) -0.10158(14) 0.0582(3) Uani d . 1 . .
H H12 1.0711 1.2390 -0.0812 0.070 Uiso calc R 1 . .
C C13 0.89053(14) 1.10043(12) -0.02441(11) 0.0485(3) Uani d . 1 . .
H H13 0.8916 1.1575 0.0484 0.058 Uiso calc R 1 . .
C C14 0.52831(12) 0.64977(11) 0.29232(10) 0.0419(2) Uani d . 1 . .
C C15 0.48157(15) 0.66344(14) 0.40654(12) 0.0550(3) Uani d . 1 . .
H H15 0.3888 0.6690 0.4183 0.066 Uiso calc R 1 . .
C C16 0.5715(2) 0.66892(17) 0.50407(14) 0.0684(4) Uani d . 1 . .
H H16 0.5387 0.6785 0.5805 0.082 Uiso calc R 1 . .
C C17 0.70797(18) 0.66035(16) 0.48857(15) 0.0683(4) Uani d . 1 . .
H H17 0.7680 0.6646 0.5543 0.082 Uiso calc R 1 . .
C C18 0.75602(15) 0.64543(15) 0.37601(15) 0.0630(4) Uani d . 1 . .
H H18 0.8486 0.6392 0.3651 0.076 Uiso calc R 1 . .
C C19 0.66678(13) 0.63960(13) 0.27891(13) 0.0510(3) Uani d . 1 . .
H H19 0.6999 0.6286 0.2027 0.061 Uiso calc R 1 . .
C C20 0.19496(16) 0.46380(14) 0.19745(15) 0.0632(4) Uani d . 1 . .
H H20A 0.2215 0.4659 0.2791 0.095 Uiso calc R 1 . .
H H20B 0.2257 0.4003 0.1447 0.095 Uiso calc R 1 . .
H H20C 0.0876 0.4347 0.1847 0.095 Uiso calc R 1 . .
C C21 0.22210(16) 0.60584(16) 0.04407(13) 0.0628(4) Uani d . 1 . .
H H21A 0.1147 0.5793 0.0374 0.094 Uiso calc R 1 . .
H H21B 0.2470 0.5409 -0.0124 0.094 Uiso calc R 1 . .
H H21C 0.2718 0.6962 0.0275 0.094 Uiso calc R 1 . .
C C22 0.60341(13) 1.03354(12) 0.26859(11) 0.0474(3) Uani d . 1 . .
C C23 0.70016(15) 1.02965(15) 0.35611(12) 0.0587(3) Uani d . 1 . .
H H23 0.6878 0.9455 0.3737 0.070 Uiso calc R 1 . .
C C24 0.81482(18) 1.1497(2) 0.41752(16) 0.0796(5) Uani d U 1 . .
H H24 0.8786 1.1460 0.4766 0.095 Uiso calc R 1 . .
C C25 0.8349(2) 1.27372(19) 0.3918(2) 0.0935(6) Uani d U 1 . .
H H25 0.9122 1.3543 0.4334 0.112 Uiso calc R 1 . .
C C26 0.7412(2) 1.27938(16) 0.3048(2) 0.0903(6) Uani d . 1 . .
H H26 0.7558 1.3639 0.2870 0.108 Uiso calc R 1 . .
C C27 0.62430(18) 1.15950(14) 0.24296(15) 0.0664(4) Uani d . 1 . .
H H27 0.5603 1.1640 0.1845 0.080 Uiso calc R 1 . .
N N1 0.52148(10) 0.79071(9) 0.15014(8) 0.0386(2) Uani d . 1 . .
N N2 0.67000(12) 0.92692(11) 0.02715(9) 0.0469(2) Uani d . 1 . .
O O1 0.62406(11) 0.69939(9) -0.00520(8) 0.0565(2) Uani d . 1 . .
O O2 0.11166(10) 0.68212(11) 0.29595(10) 0.0686(3) Uani d . 1 . .
H H2A 0.6752(17) 0.9942(16) 0.0847(14) 0.061(4) Uiso d . 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'
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
N1 C2 C14 . . 109.54(9) ?
N1 C2 C3 . . 110.26(9) ?
C14 C2 C3 . . 119.32(9) ?
N1 C2 H2 . . 105.6 ?
C14 C2 H2 . . 105.6 ?
C3 C2 H2 . . 105.6 ?
C4 C3 C20 . . 111.63(10) ?
C4 C3 C21 . . 106.12(11) ?
C20 C3 C21 . . 109.08(11) ?
C4 C3 C2 . . 110.60(9) ?
C20 C3 C2 . . 111.34(10) ?
C21 C3 C2 . . 107.87(10) ?
O2 C4 C5 . . 120.53(11) ?
O2 C4 C3 . . 122.26(11) ?
C5 C4 C3 . . 117.19(9) ?
C4 C5 C6 . . 117.78(10) ?
C4 C5 H5A . . 107.9 ?
C6 C5 H5A . . 107.9 ?
C4 C5 H5B . . 107.9 ?
C6 C5 H5B . . 107.9 ?
H5A C5 H5B . . 107.2 ?
N1 C6 C22 . . 113.61(9) ?
N1 C6 C5 . . 112.05(9) ?
C22 C6 C5 . . 108.49(9) ?
N1 C6 H6 . . 107.5 ?
C22 C6 H6 . . 107.5 ?
C5 C6 H6 . . 107.5 ?
O1 C7 N2 . . 122.47(10) ?
O1 C7 N1 . . 122.90(10) ?
N2 C7 N1 . . 114.63(9) ?
C9 C8 C13 . . 119.39(10) ?
C9 C8 N2 . . 123.48(10) ?
C13 C8 N2 . . 117.08(10) ?
C8 C9 C10 . . 119.03(12) ?
C8 C9 H9 . . 120.5 ?
C10 C9 H9 . . 120.5 ?
C11 C10 C9 . . 121.42(13) ?
C11 C10 H10 . . 119.3 ?
C9 C10 H10 . . 119.3 ?
C12 C11 C10 . . 119.36(12) ?
C12 C11 H11 . . 120.3 ?
C10 C11 H11 . . 120.3 ?
C11 C12 C13 . . 120.31(12) ?
C11 C12 H12 . . 119.8 ?
C13 C12 H12 . . 119.8 ?
C12 C13 C8 . . 120.47(12) ?
C12 C13 H13 . . 119.8 ?
C8 C13 H13 . . 119.8 ?
C15 C14 C19 . . 117.59(12) ?
C15 C14 C2 . . 126.22(10) ?
C19 C14 C2 . . 116.09(10) ?
C14 C15 C16 . . 120.74(13) ?
C14 C15 H15 . . 119.6 ?
C16 C15 H15 . . 119.6 ?
C17 C16 C15 . . 120.48(14) ?
C17 C16 H16 . . 119.8 ?
C15 C16 H16 . . 119.8 ?
C16 C17 C18 . . 119.82(14) ?
C16 C17 H17 . . 120.1 ?
C18 C17 H17 . . 120.1 ?
C17 C18 C19 . . 119.84(13) ?
C17 C18 H18 . . 120.1 ?
C19 C18 H18 . . 120.1 ?
C18 C19 C14 . . 121.52(13) ?
C18 C19 H19 . . 119.2 ?
C14 C19 H19 . . 119.2 ?
C3 C20 H20A . . 109.5 ?
C3 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C3 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C3 C21 H21A . . 109.5 ?
C3 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C3 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C27 C22 C23 . . 118.93(13) ?
C27 C22 C6 . . 119.72(13) ?
C23 C22 C6 . . 121.35(12) ?
C24 C23 C22 . . 120.53(16) ?
C24 C23 H23 . . 119.7 ?
C22 C23 H23 . . 119.7 ?
C25 C24 C23 . . 120.28(19) ?
C25 C24 H24 . . 119.9 ?
C23 C24 H24 . . 119.9 ?
C24 C25 C26 . . 119.99(16) ?
C24 C25 H25 . . 120.0 ?
C26 C25 H25 . . 120.0 ?
C25 C26 C27 . . 120.40(18) ?
C25 C26 H26 . . 119.8 ?
C27 C26 H26 . . 119.8 ?
C22 C27 C26 . . 119.87(18) ?
C22 C27 H27 . . 120.1 ?
C26 C27 H27 . . 120.1 ?
C7 N1 C6 . . 121.29(9) ?
C7 N1 C2 . . 116.56(8) ?
C6 N1 C2 . . 120.31(8) ?
C7 N2 C8 . . 125.58(9) ?
C7 N2 H2A . . 115.1(10) ?
C8 N2 H2A . . 113.3(10) ?
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
C2 N1 . 1.4802(13) ?
C2 C14 . 1.5193(16) ?
C2 C3 . 1.5395(15) ?
C2 H2 . 0.9800 ?
C3 C4 . 1.5132(17) ?
C3 C20 . 1.5256(18) ?
C3 C21 . 1.5384(19) ?
C4 O2 . 1.2075(14) ?
C4 C5 . 1.5001(17) ?
C5 C6 . 1.5339(15) ?
C5 H5A . 0.9700 ?
C5 H5B . 0.9700 ?
C6 N1 . 1.4786(13) ?
C6 C22 . 1.5201(16) ?
C6 H6 . 0.9800 ?
C7 O1 . 1.2159(13) ?
C7 N2 . 1.3715(15) ?
C7 N1 . 1.3779(13) ?
C8 C9 . 1.3783(16) ?
C8 C13 . 1.3856(16) ?
C8 N2 . 1.4115(14) ?
C9 C10 . 1.3856(17) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.368(2) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.365(2) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.3765(18) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 C15 . 1.3816(17) ?
C14 C19 . 1.3917(16) ?
C15 C16 . 1.389(2) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.368(2) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.370(2) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.379(2) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 C27 . 1.3839(19) ?
C22 C23 . 1.385(2) ?
C23 C24 . 1.381(2) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.366(3) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.369(3) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.392(2) ?
C26 H26 . 0.9300 ?
C27 H27 . 0.9300 ?
N2 H2A . 0.864(16) ?
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
C18 H18 O2 1_655 0.93 2.56 3.4488(17) 161.2
C20 H20B O1 2_665 0.96 2.52 3.4520(17) 162.4
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
N1 C2 C3 C4 . . . . -57.33(13) ?
C14 C2 C3 C4 . . . . 70.71(13) ?
N1 C2 C3 C20 . . . . 177.95(10) ?
C14 C2 C3 C20 . . . . -54.01(14) ?
N1 C2 C3 C21 . . . . 58.31(12) ?
C14 C2 C3 C21 . . . . -173.65(10) ?
C20 C3 C4 O2 . . . . -29.31(18) ?
C21 C3 C4 O2 . . . . 89.41(15) ?
C2 C3 C4 O2 . . . . -153.86(13) ?
C20 C3 C4 C5 . . . . 149.20(12) ?
C21 C3 C4 C5 . . . . -92.08(13) ?
C2 C3 C4 C5 . . . . 24.65(15) ?
O2 C4 C5 C6 . . . . -158.95(12) ?
C3 C4 C5 C6 . . . . 22.51(17) ?
C4 C5 C6 N1 . . . . -36.49(15) ?
C4 C5 C6 C22 . . . . -162.73(11) ?
C13 C8 C9 C10 . . . . 0.85(19) ?
N2 C8 C9 C10 . . . . 178.19(12) ?
C8 C9 C10 C11 . . . . -1.0(2) ?
C9 C10 C11 C12 . . . . 0.1(2) ?
C10 C11 C12 C13 . . . . 0.8(2) ?
C11 C12 C13 C8 . . . . -0.9(2) ?
C9 C8 C13 C12 . . . . 0.09(19) ?
N2 C8 C13 C12 . . . . -177.42(12) ?
N1 C2 C14 C15 . . . . 100.75(13) ?
C3 C2 C14 C15 . . . . -27.62(17) ?
N1 C2 C14 C19 . . . . -75.44(12) ?
C3 C2 C14 C19 . . . . 156.19(10) ?
C19 C14 C15 C16 . . . . 1.00(19) ?
C2 C14 C15 C16 . . . . -175.14(12) ?
C14 C15 C16 C17 . . . . -0.2(2) ?
C15 C16 C17 C18 . . . . -0.4(2) ?
C16 C17 C18 C19 . . . . 0.2(2) ?
C17 C18 C19 C14 . . . . 0.6(2) ?
C15 C14 C19 C18 . . . . -1.17(18) ?
C2 C14 C19 C18 . . . . 175.36(11) ?
N1 C6 C22 C27 . . . . 129.49(12) ?
C5 C6 C22 C27 . . . . -105.18(13) ?
N1 C6 C22 C23 . . . . -51.43(14) ?
C5 C6 C22 C23 . . . . 73.89(13) ?
C27 C22 C23 C24 . . . . 0.55(19) ?
C6 C22 C23 C24 . . . . -178.53(12) ?
C22 C23 C24 C25 . . . . -0.6(2) ?
C23 C24 C25 C26 . . . . 0.0(3) ?
C24 C25 C26 C27 . . . . 0.7(3) ?
C23 C22 C27 C26 . . . . 0.1(2) ?
C6 C22 C27 C26 . . . . 179.15(13) ?
C25 C26 C27 C22 . . . . -0.7(2) ?
O1 C7 N1 C6 . . . . -166.29(11) ?
N2 C7 N1 C6 . . . . 13.92(15) ?
O1 C7 N1 C2 . . . . -1.72(16) ?
N2 C7 N1 C2 . . . . 178.49(10) ?
C22 C6 N1 C7 . . . . -71.04(14) ?
C5 C6 N1 C7 . . . . 165.56(10) ?
C22 C6 N1 C2 . . . . 124.96(11) ?
C5 C6 N1 C2 . . . . 1.56(14) ?
C14 C2 N1 C7 . . . . 107.12(10) ?
C3 C2 N1 C7 . . . . -119.65(10) ?
C14 C2 N1 C6 . . . . -88.14(11) ?
C3 C2 N1 C6 . . . . 45.08(13) ?
O1 C7 N2 C8 . . . . -10.60(19) ?
N1 C7 N2 C8 . . . . 169.19(11) ?
C9 C8 N2 C7 . . . . 39.03(18) ?
C13 C8 N2 C7 . . . . -143.58(12) ?
