#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:26:07 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180393 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/62/7206247.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_7206247
loop_
_publ_author_name
'Zhang, Zhenfeng'
'Wu, Yanbo'
'Zhang, Guisheng'
_publ_section_title
;
 N⋯π and O⋯π interactions rather than
 “directed” hydrogen bonding in the crystal packing of
 ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              4496
_journal_paper_doi               10.1039/c1ce05199g
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C14 H16 N2 O3'
_chemical_formula_weight         260.29
_chemical_name_systematic
;
?
;
_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                79.947(2)
_cell_angle_beta                 84.258(2)
_cell_angle_gamma                79.707(2)
_cell_formula_units_Z            4
_cell_length_a                   8.4186(10)
_cell_length_b                   12.5730(15)
_cell_length_c                   13.2177(15)
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.23
_cell_measurement_theta_min      3.55
_cell_volume                     1352.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_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            15248
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.9825
_exptl_absorpt_correction_T_min  0.9739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.031
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0464
_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)+(0.0665P)²+0.2061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1207
_refine_ls_wR_factor_ref         0.1451
_reflns_number_gt                3252
_reflns_number_total             5218
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05199g.txt
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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      P-1
_cod_database_code               7206247
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C4 C 0.2219(2) 0.38475(15) 1.15963(13) 0.0466(4) Uani 1 1 d . . .
C3 C 0.1678(2) 0.47778(15) 1.09201(13) 0.0491(4) Uani 1 1 d . . .
H3 H 0.0792 0.5273 1.1119 0.059 Uiso 1 1 calc R . .
C2 C 0.2451(2) 0.49805(15) 0.99429(13) 0.0484(4) Uani 1 1 d . . .
H2 H 0.2084 0.5613 0.9493 0.058 Uiso 1 1 calc R . .
C1 C 0.3754(2) 0.42513(15) 0.96375(13) 0.0462(4) Uani 1 1 d . . .
C6 C 0.4316(2) 0.33259(16) 1.03174(14) 0.0562(5) Uani 1 1 d . . .
H6 H 0.5210 0.2836 1.0120 0.067 Uiso 1 1 calc R . .
C5 C 0.3550(2) 0.31245(16) 1.12955(14) 0.0559(5) Uani 1 1 d . . .
H5 H 0.3934 0.2501 1.1750 0.067 Uiso 1 1 calc R . .
C13 C 0.0009(2) 0.41699(17) 1.28514(15) 0.0600(5) Uani 1 1 d . . .
H13A H -0.0756 0.4151 1.2355 0.072 Uiso 1 1 calc R . .
H13B H 0.0087 0.4929 1.2861 0.072 Uiso 1 1 calc R . .
C14 C -0.0548(3) 0.36429(19) 1.38941(16) 0.0749(7) Uani 1 1 d . . .
H14A H -0.0722(4) 0.2920(10) 1.38622(16) 0.112 Uiso 1 1 calc R . .
H14B H -0.1536(14) 0.4064(6) 1.4124(4) 0.112 Uiso 1 1 calc R . .
H14C H 0.0258(11) 0.3607(2) 1.4365(7) 0.112 Uiso 1 1 calc R . .
C7 C 0.5659(2) 0.39020(15) 0.81596(13) 0.0487(4) Uani 1 1 d . . .
H7 H 0.6076 0.3222 0.8519 0.058 Uiso 1 1 calc R . .
C8 C 0.6334(2) 0.41979(15) 0.71728(13) 0.0469(4) Uani 1 1 d . . .
C10 C 0.7615(2) 0.34496(16) 0.67778(13) 0.0529(5) Uani 1 1 d . . .
C9 C 0.5763(2) 0.52493(15) 0.65596(13) 0.0473(4) Uani 1 1 d . . .
C11 C 0.6048(3) 0.64595(16) 0.49959(14) 0.0591(5) Uani 1 1 d . . .
H11A H 0.6170 0.7052 0.5348 0.071 Uiso 1 1 calc R . .
H11B H 0.4919 0.6534 0.4860 0.071 Uiso 1 1 calc R . .
C12 C 0.7085(3) 0.65010(18) 0.40101(15) 0.0666(6) Uani 1 1 d . . .
H12A H 0.8213(15) 0.6407(2) 0.4157(2) 0.100 Uiso 1 1 calc R . .
H12B H 0.6789(5) 0.7204(9) 0.3579(6) 0.100 Uiso 1 1 calc R . .
H12C H 0.6928(3) 0.5919(8) 0.3654(5) 0.100 Uiso 1 1 calc R . .
N1 N 0.44759(18) 0.45088(12) 0.86254(11) 0.0502(4) Uani 1 1 d . . .
H1 H 0.4095 0.5132 0.8280 0.060 Uiso 1 1 calc R . .
N2 N 0.8644(2) 0.28356(15) 0.64759(14) 0.0783(6) Uani 1 1 d . . .
O3 O 0.15520(15) 0.35825(11) 1.25738(9) 0.0573(4) Uani 1 1 d . . .
O1 O 0.46561(16) 0.59182(11) 0.68483(10) 0.0621(4) Uani 1 1 d . . .
O2 O 0.65604(15) 0.54111(10) 0.56279(9) 0.0522(3) Uani 1 1 d . . .
O4 O 1.08241(19) -0.20070(12) 0.84972(11) 0.0725(4) Uani 1 1 d . . .
O5 O 0.90739(15) -0.14131(10) 0.97546(9) 0.0532(3) Uani 1 1 d . . .
O6 O 1.41873(16) 0.05320(10) 0.28446(9) 0.0595(4) Uani 1 1 d . . .
N4 N 0.7399(2) 0.12946(15) 0.89939(14) 0.0737(5) Uani 1 1 d . . .
N3 N 1.11804(19) -0.05215(13) 0.67523(12) 0.0557(4) Uani 1 1 d . . .
H3A H 1.1475 -0.1178 0.7062 0.067 Uiso 1 1 calc R . .
C18 C 1.3479(2) 0.02194(15) 0.38001(13) 0.0488(4) Uani 1 1 d . . .
C17 C 1.3777(2) -0.08074(16) 0.43799(15) 0.0606(5) Uani 1 1 d . . .
H17 H 1.4505 -0.1357 0.4116 0.073 Uiso 1 1 calc R . .
C16 C 1.3010(3) -0.10324(16) 0.53474(15) 0.0612(5) Uani 1 1 d . . .
H16 H 1.3236 -0.1729 0.5731 0.073 Uiso 1 1 calc R . .
C15 C 1.1921(2) -0.02403(16) 0.57476(13) 0.0500(4) Uani 1 1 d . . .
C20 C 1.1605(2) 0.07938(16) 0.51703(15) 0.0581(5) Uani 1 1 d . . .
H20 H 1.0871 0.1340 0.5435 0.070 Uiso 1 1 calc R . .
C19 C 1.2378(2) 0.10195(16) 0.41999(15) 0.0571(5) Uani 1 1 d . . .
H19 H 1.2153 0.1715 0.3815 0.069 Uiso 1 1 calc R . .
C27 C 1.5307(2) -0.02593(16) 0.23801(14) 0.0547(5) Uani 1 1 d . . .
H27A H 1.4795 -0.0874 0.2314 0.066 Uiso 1 1 calc R . .
H27B H 1.6225 -0.0529 0.2796 0.066 Uiso 1 1 calc R . .
C28 C 1.5849(3) 0.02967(19) 0.13405(15) 0.0744(7) Uani 1 1 d . . .
H28A H 1.4937(12) 0.0571(4) 0.0947(6) 0.112 Uiso 1 1 calc R . .
H28B H 1.6584(10) -0.0213(7) 0.0998(5) 0.112 Uiso 1 1 calc R . .
H28C H 1.6371(8) 0.0885(8) 0.14168(17) 0.112 Uiso 1 1 calc R . .
C21 C 1.0100(2) 0.01119(16) 0.72535(14) 0.0531(5) Uani 1 1 d . . .
H21 H 0.9756 0.0820 0.6923 0.064 Uiso 1 1 calc R . .
C22 C 0.9427(2) -0.01889(15) 0.82401(13) 0.0503(5) Uani 1 1 d . . .
C24 C 0.8297(2) 0.06221(16) 0.86701(14) 0.0525(3) Uani 1 1 d . . .
C25 C 0.9463(3) -0.24796(15) 1.03776(15) 0.0582(5) Uani 1 1 d . . .
H25A H 1.0605 -0.2634 1.0499 0.070 Uiso 1 1 calc R . .
H25B H 0.9222 -0.3043 1.0028 0.070 Uiso 1 1 calc R . .
C26 C 0.8455(3) -0.24608(17) 1.13806(16) 0.0733(7) Uani 1 1 d . . .
H26A H 0.8734(5) -0.1927(7) 1.1729(5) 0.110 Uiso 1 1 calc R . .
H26B H 0.8654(4) -0.3161(9) 1.1797(6) 0.110 Uiso 1 1 calc R . .
H26C H 0.7341(15) -0.2282(3) 1.1250(2) 0.110 Uiso 1 1 calc R . .
C23 C 0.9860(2) -0.12849(16) 0.88209(14) 0.0525(3) Uani 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 C4 C3 124.70(16) . . ?
O3 C4 C5 116.05(16) . . ?
C3 C4 C5 119.23(16) . . ?
C4 C3 C2 120.37(16) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C1 C2 C3 120.36(17) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C2 C1 C6 119.51(16) . . ?
C2 C1 N1 117.22(16) . . ?
C6 C1 N1 123.26(16) . . ?
C1 C6 C5 120.19(17) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C4 C5 C6 120.31(17) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
O3 C13 C14 108.02(16) . . ?
O3 C13 H13A 110.1 . . ?
C14 C13 H13A 110.1 . . ?
O3 C13 H13B 110.1 . . ?
C14 C13 H13B 110.1 . . ?
H13A C13 H13B 108.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C7 C8 124.97(17) . . ?
N1 C7 H7 117.5 . . ?
C8 C7 H7 117.5 . . ?
C7 C8 C10 118.19(16) . . ?
C7 C8 C9 121.12(16) . . ?
C10 C8 C9 120.69(15) . . ?
N2 C10 C8 178.8(2) . . ?
O1 C9 O2 122.74(16) . . ?
O1 C9 C8 123.82(16) . . ?
O2 C9 C8 113.44(15) . . ?
O2 C11 C12 107.68(16) . . ?
O2 C11 H11A 110.2 . . ?
C12 C11 H11A 110.2 . . ?
O2 C11 H11B 110.2 . . ?
C12 C11 H11B 110.2 . . ?
H11A C11 H11B 108.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 N1 C1 127.25(16) . . ?
C7 N1 H1 116.4 . . ?
C1 N1 H1 116.4 . . ?
C4 O3 C13 118.15(14) . . ?
C9 O2 C11 115.31(14) . . ?
C23 O5 C25 115.64(14) . . ?
C18 O6 C27 118.58(14) . . ?
C21 N3 C15 126.89(17) . . ?
C21 N3 H3A 116.6 . . ?
C15 N3 H3A 116.6 . . ?
O6 C18 C17 125.62(16) . . ?
O6 C18 C19 115.77(16) . . ?
C17 C18 C19 118.60(17) . . ?
C18 C17 C16 120.92(18) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C15 C16 C17 120.63(18) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C15 C20 119.01(17) . . ?
C16 C15 N3 117.93(17) . . ?
C20 C15 N3 123.06(17) . . ?
C15 C20 C19 120.31(18) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C18 C19 C20 120.52(18) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
O6 C27 C28 106.99(15) . . ?
O6 C27 H27A 110.3 . . ?
C28 C27 H27A 110.3 . . ?
O6 C27 H27B 110.3 . . ?
C28 C27 H27B 110.3 . . ?
H27A C27 H27B 108.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C21 C22 125.09(19) . . ?
N3 C21 H21 117.5 . . ?
C22 C21 H21 117.5 . . ?
C21 C22 C24 117.03(17) . . ?
C21 C22 C23 121.94(17) . . ?
C24 C22 C23 121.03(16) . . ?
N4 C24 C22 178.2(2) . . ?
O5 C25 C26 107.49(15) . . ?
O5 C25 H25A 110.2 . . ?
C26 C25 H25A 110.2 . . ?
O5 C25 H25B 110.2 . . ?
C26 C25 H25B 110.2 . . ?
H25A C25 H25B 108.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O4 C23 O5 123.26(17) . . ?
O4 C23 C22 123.96(17) . . ?
O5 C23 C22 112.78(16) . . ?
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
C4 O3 1.366(2) . ?
C4 C3 1.378(2) . ?
C4 C5 1.383(2) . ?
C3 C2 1.390(2) . ?
C3 H3 0.9300 . ?
C2 C1 1.374(2) . ?
C2 H2 0.9300 . ?
C1 C6 1.381(3) . ?
C1 N1 1.421(2) . ?
C6 C5 1.389(2) . ?
C6 H6 0.9300 . ?
C5 H5 0.9300 . ?
C13 O3 1.423(2) . ?
C13 C14 1.490(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9554 . ?
C14 H14B 0.9554 . ?
C14 H14C 0.9554 . ?
C7 N1 1.313(2) . ?
C7 C8 1.386(2) . ?
C7 H7 0.9300 . ?
C8 C10 1.420(3) . ?
C8 C9 1.454(2) . ?
C10 N2 1.143(2) . ?
C9 O1 1.217(2) . ?
C9 O2 1.344(2) . ?
C11 O2 1.451(2) . ?
C11 C12 1.493(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9707 . ?
C12 H12B 0.9707 . ?
C12 H12C 0.9707 . ?
N1 H1 0.8600 . ?
O4 C23 1.212(2) . ?
O5 C23 1.339(2) . ?
O5 C25 1.447(2) . ?
O6 C18 1.365(2) . ?
O6 C27 1.420(2) . ?
N4 C24 1.142(2) . ?
N3 C21 1.306(2) . ?
N3 C15 1.424(2) . ?
N3 H3A 0.8600 . ?
C18 C17 1.376(3) . ?
C18 C19 1.380(2) . ?
C17 C16 1.381(3) . ?
C17 H17 0.9300 . ?
C16 C15 1.368(3) . ?
C16 H16 0.9300 . ?
C15 C20 1.383(3) . ?
C20 C19 1.386(3) . ?
C20 H20 0.9300 . ?
C19 H19 0.9300 . ?
C27 C28 1.496(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9499 . ?
C28 H28B 0.9499 . ?
C28 H28C 0.9499 . ?
C21 C22 1.386(2) . ?
C21 H21 0.9300 . ?
C22 C24 1.420(3) . ?
C22 C23 1.459(3) . ?
C25 C26 1.502(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9505 . ?
C26 H26B 0.9505 . ?
C26 H26C 0.9505 . ?
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
O3 C4 C3 C2 179.29(16) . . . . ?
C5 C4 C3 C2 0.7(3) . . . . ?
C4 C3 C2 C1 0.5(3) . . . . ?
C3 C2 C1 C6 -1.5(3) . . . . ?
C3 C2 C1 N1 179.57(16) . . . . ?
C2 C1 C6 C5 1.2(3) . . . . ?
N1 C1 C6 C5 -179.92(17) . . . . ?
O3 C4 C5 C6 -179.69(17) . . . . ?
C3 C4 C5 C6 -1.0(3) . . . . ?
C1 C6 C5 C4 0.1(3) . . . . ?
N1 C7 C8 C10 179.80(17) . . . . ?
N1 C7 C8 C9 0.4(3) . . . . ?
C7 C8 C10 N2 -3(12) . . . . ?
C9 C8 C10 N2 176(100) . . . . ?
C7 C8 C9 O1 -1.7(3) . . . . ?
C10 C8 C9 O1 178.88(18) . . . . ?
C7 C8 C9 O2 179.19(15) . . . . ?
C10 C8 C9 O2 -0.2(2) . . . . ?
C8 C7 N1 C1 -179.19(17) . . . . ?
C2 C1 N1 C7 -175.65(17) . . . . ?
C6 C1 N1 C7 5.4(3) . . . . ?
C3 C4 O3 C13 13.7(3) . . . . ?
C5 C4 O3 C13 -167.71(17) . . . . ?
C14 C13 O3 C4 172.86(17) . . . . ?
O1 C9 O2 C11 2.0(3) . . . . ?
C8 C9 O2 C11 -178.96(15) . . . . ?
C12 C11 O2 C9 178.71(16) . . . . ?
C27 O6 C18 C17 1.4(3) . . . . ?
C27 O6 C18 C19 -178.70(17) . . . . ?
O6 C18 C17 C16 178.98(18) . . . . ?
C19 C18 C17 C16 -0.9(3) . . . . ?
C18 C17 C16 C15 0.7(3) . . . . ?
C17 C16 C15 C20 -0.4(3) . . . . ?
C17 C16 C15 N3 -179.55(18) . . . . ?
C21 N3 C15 C16 -178.77(19) . . . . ?
C21 N3 C15 C20 2.1(3) . . . . ?
C16 C15 C20 C19 0.2(3) . . . . ?
N3 C15 C20 C19 179.38(17) . . . . ?
O6 C18 C19 C20 -179.13(17) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C15 C20 C19 C18 -0.4(3) . . . . ?
C18 O6 C27 C28 178.55(17) . . . . ?
C15 N3 C21 C22 -178.88(17) . . . . ?
N3 C21 C22 C24 178.45(18) . . . . ?
N3 C21 C22 C23 -1.1(3) . . . . ?
C21 C22 C24 N4 -8(7) . . . . ?
C23 C22 C24 N4 171(7) . . . . ?
C23 O5 C25 C26 -179.52(17) . . . . ?
C25 O5 C23 O4 0.9(3) . . . . ?
C25 O5 C23 C22 -179.28(15) . . . . ?
C21 C22 C23 O4 0.1(3) . . . . ?
C24 C22 C23 O4 -179.44(19) . . . . ?
C21 C22 C23 O5 -179.75(16) . . . . ?
C24 C22 C23 O5 0.8(3) . . . . ?
