#------------------------------------------------------------------------------
#$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2224681.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_2224681
loop_
_publ_author_name
'Felsmann, Marika'
'Schindler, Diana'
'Weber, Edwin'
_publ_section_title
;
 2-Phenyl-4,5-di-2-pyridyl-1<i>H</i>-imidazole
;
_journal_coeditor_code           IM2166
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o149
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C19 H14 N4'
_chemical_formula_moiety         'C19 H14 N4'
_chemical_formula_sum            'C19 H14 N4'
_chemical_formula_weight         298.34
_chemical_melting_point          462
_chemical_name_systematic
;
2-Phenyl-4,5-di-2-pyridyl-1<i>H</i>-imidazole
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.835(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7394(3)
_cell_length_b                   15.3333(5)
_cell_length_c                   11.2980(4)
_cell_measurement_reflns_used    4480
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.91
_cell_measurement_theta_min      2.30
_cell_volume                     1449.09(9)
_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  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14338
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.9933
_exptl_absorpt_correction_T_min  0.9735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.185
_refine_diff_density_min         -0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0331
_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/[\s^2^(Fo^2^)+(0.0408P)^2^+0.3271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                2130
_reflns_number_total             2562
_reflns_threshold_expression     I>2sigma(I)
_[local]_cod_data_source_file    im2166.cif
_[local]_cod_data_source_block   I
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_database_code               2224681
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
N N1 0.91201(12) 0.18912(7) -0.10112(9) 0.0237(3) Uani d . 1
N N2 0.86233(11) 0.09328(7) 0.02858(9) 0.0239(3) Uani d . 1
N N3 1.16211(13) 0.28374(8) -0.11585(10) 0.0331(3) Uani d . 1
N N4 1.24782(12) 0.12084(7) 0.25734(10) 0.0265(3) Uani d . 1
C C1 0.80100(14) 0.13607(8) -0.07612(11) 0.0226(3) Uani d . 1
C C2 1.02004(14) 0.11894(8) 0.07188(11) 0.0225(3) Uani d . 1
C C3 1.05460(14) 0.17873(8) -0.00916(11) 0.0224(3) Uani d . 1
C C4 1.19531(14) 0.22527(8) -0.02296(11) 0.0239(3) Uani d . 1
C C5 1.35107(14) 0.20897(9) 0.04894(12) 0.0292(3) Uani d . 1
H H5 1.3719 0.1672 0.1138 0.035 Uiso calc R 1
C C6 1.47484(16) 0.25437(9) 0.02471(13) 0.0333(3) Uani d . 1
H H6 1.5820 0.2440 0.0727 0.040 Uiso calc R 1
C C7 1.44232(17) 0.31470(10) -0.06921(13) 0.0352(3) Uani d . 1
H H7 1.5256 0.3470 -0.0871 0.042 Uiso calc R 1
C C8 1.28509(18) 0.32678(10) -0.13653(14) 0.0386(4) Uani d . 1
H H8 1.2625 0.3683 -0.2018 0.046 Uiso calc R 1
C C9 1.11465(14) 0.08007(8) 0.19008(11) 0.0224(3) Uani d . 1
C C10 1.06033(15) 0.00341(9) 0.23010(11) 0.0264(3) Uani d . 1
H H10 0.9655 -0.0238 0.1810 0.032 Uiso calc R 1
C C11 1.14491(15) -0.03268(9) 0.34130(12) 0.0292(3) Uani d . 1
H H11 1.1095 -0.0851 0.3698 0.035 Uiso calc R 1
C C12 1.28242(15) 0.00858(9) 0.41110(12) 0.0295(3) Uani d . 1
H H12 1.3430 -0.0145 0.4885 0.035 Uiso calc R 1
C C13 1.32884(15) 0.08392(9) 0.36510(12) 0.0292(3) Uani d . 1
H H13 1.4242 0.1116 0.4125 0.035 Uiso calc R 1
C C14 0.63692(14) 0.12433(8) -0.15534(11) 0.0233(3) Uani d . 1
C C15 0.56985(15) 0.17767(9) -0.25665(11) 0.0267(3) Uani d . 1
H H15 0.6320 0.2225 -0.2782 0.032 Uiso calc R 1
C C16 0.41256(15) 0.16545(9) -0.32612(12) 0.0318(3) Uani d . 1
H H16 0.3672 0.2020 -0.3953 0.038 Uiso calc R 1
C C17 0.32096(15) 0.10063(10) -0.29574(12) 0.0329(3) Uani d . 1
H H17 0.2126 0.0932 -0.3431 0.040 Uiso calc R 1
C C18 0.38761(15) 0.04655(9) -0.19604(12) 0.0322(3) Uani d . 1
H H18 0.3252 0.0016 -0.1752 0.039 Uiso calc R 1
C C19 0.54504(15) 0.05787(9) -0.12681(12) 0.0286(3) Uani d . 1
H H19 0.5908 0.0200 -0.0593 0.034 Uiso calc R 1
C Cg1 0.9300 0.1432 -0.0172 0.010 Uiso d P 0.00
C Cg2 1.3185 0.2690 -0.0452 0.010 Uiso d P 0.00
C Cg3 0.4788 0.1121 -0.2261 0.010 Uiso d P 0.00
H H1 0.9009(17) 0.2253(10) -0.1644(14) 0.039(4) Uiso d . 1
C Cg4 1.1965 0.0440 0.2992 0.010 Uiso d P 0.00
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
N1 0.0238(5) 0.0238(6) 0.0216(5) -0.0007(4) 0.0034(4) 0.0019(5)
N2 0.0211(5) 0.0254(6) 0.0235(5) -0.0007(4) 0.0036(4) -0.0004(4)
N3 0.0323(6) 0.0319(7) 0.0354(6) -0.0016(5) 0.0106(5) 0.0060(5)
N4 0.0214(5) 0.0279(7) 0.0274(5) 0.0009(4) 0.0026(4) 0.0008(5)
C1 0.0225(6) 0.0215(7) 0.0228(6) 0.0003(5) 0.0053(5) -0.0014(5)
C2 0.0202(6) 0.0224(7) 0.0240(6) 0.0007(5) 0.0052(5) -0.0020(5)
C3 0.0211(6) 0.0218(7) 0.0226(6) 0.0005(5) 0.0039(5) -0.0031(5)
C4 0.0255(6) 0.0216(7) 0.0255(6) -0.0005(5) 0.0089(5) -0.0045(5)
C5 0.0253(7) 0.0313(8) 0.0315(7) -0.0010(6) 0.0088(5) -0.0011(6)
C6 0.0247(7) 0.0388(9) 0.0376(8) -0.0037(6) 0.0110(6) -0.0072(7)
C7 0.0343(8) 0.0358(9) 0.0415(8) -0.0103(6) 0.0203(6) -0.0076(7)
C8 0.0424(8) 0.0361(9) 0.0408(8) -0.0056(7) 0.0174(7) 0.0076(7)
C9 0.0197(6) 0.0234(7) 0.0242(6) 0.0029(5) 0.0064(5) -0.0022(5)
C10 0.0235(6) 0.0260(7) 0.0283(7) -0.0010(5) 0.0053(5) -0.0011(6)
C11 0.0302(7) 0.0264(8) 0.0317(7) 0.0006(6) 0.0101(6) 0.0045(6)
C12 0.0284(7) 0.0310(8) 0.0264(7) 0.0066(6) 0.0035(5) 0.0040(6)
C13 0.0229(6) 0.0319(8) 0.0285(7) 0.0018(5) 0.0006(5) 0.0001(6)
C14 0.0226(6) 0.0242(7) 0.0226(6) 0.0015(5) 0.0055(5) -0.0041(5)
C15 0.0253(7) 0.0270(8) 0.0264(7) -0.0005(5) 0.0053(5) 0.0006(5)
C16 0.0279(7) 0.0373(8) 0.0261(7) 0.0040(6) 0.0012(6) 0.0028(6)
C17 0.0225(6) 0.0428(9) 0.0294(7) -0.0018(6) 0.0012(5) -0.0031(6)
C18 0.0274(7) 0.0359(8) 0.0324(7) -0.0083(6) 0.0072(6) -0.0015(6)
C19 0.0275(7) 0.0305(8) 0.0257(7) -0.0014(6) 0.0045(5) 0.0015(6)
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cg1 N1 C1 53.07(7)
Cg1 N1 C3 55.48(7)
C1 N1 C3 108.54(10)
Cg1 N1 H1 178.2(10)
C1 N1 H1 128.6(9)
C3 N1 H1 122.9(9)
Cg1 N2 C1 53.73(7)
Cg1 N2 C2 52.54(7)
C1 N2 C2 106.27(10)
C8 N3 C4 117.50(11)
C13 N4 C9 117.30(11)
Cg1 C1 N2 56.48(7)
Cg1 C1 N1 54.29(7)
N2 C1 N1 110.76(10)
Cg1 C1 C14 177.65(13)
N2 C1 C14 123.84(11)
N1 C1 C14 125.36(11)
Cg1 C2 N2 54.52(6)
Cg1 C2 C3 55.36(7)
N2 C2 C3 109.88(10)
Cg1 C2 C9 170.96(12)
N2 C2 C9 116.46(11)
C3 C2 C9 133.65(11)
Cg1 C3 N1 52.60(7)
Cg1 C3 C2 51.93(7)
N1 C3 C2 104.53(10)
Cg1 C3 C4 169.78(11)
N1 C3 C4 117.70(11)
C2 C3 C4 137.66(11)
N3 C4 Cg2 61.88(7)
N3 C4 C5 121.89(12)
Cg2 C4 C5 60.02(8)
N3 C4 C3 114.09(11)
Cg2 C4 C3 175.49(11)
C5 C4 C3 123.96(12)
C6 C5 C4 118.99(13)
C6 C5 H5 120.5
C4 C5 H5 120.5
C7 C6 C5 119.64(13)
C7 C6 H6 120.2
C5 C6 H6 120.2
C6 C7 C8 117.86(13)
C6 C7 H7 121.1
C8 C7 H7 121.1
N3 C8 C7 124.11(14)
N3 C8 H8 117.9
C7 C8 H8 117.9
N4 C9 C10 121.99(11)
N4 C9 C2 119.28(11)
C10 C9 C2 118.70(11)
C11 C10 C9 119.53(11)
C11 C10 H10 120.2
C9 C10 H10 120.2
C10 C11 C12 118.97(13)
C10 C11 H11 120.5
C12 C11 H11 120.5
C13 C12 C11 118.10(12)
C13 C12 H12 121.0
C11 C12 H12 121.0
N4 C13 C12 124.11(12)
N4 C13 H13 117.9
C12 C13 H13 117.9
C15 C14 C19 119.16(11)
C15 C14 Cg3 59.71(7)
C19 C14 Cg3 59.46(7)
C15 C14 C1 122.36(12)
C19 C14 C1 118.47(11)
Cg3 C14 C1 177.47(11)
C16 C15 C14 119.99(13)
C16 C15 H15 120.0
C14 C15 H15 120.0
C17 C16 C15 120.57(12)
C17 C16 H16 119.7
C15 C16 H16 119.7
C16 C17 C18 119.74(12)
C16 C17 H17 120.1
C18 C17 H17 120.1
C19 C18 C17 120.04(13)
C19 C18 H18 120.0
C17 C18 H18 120.0
C18 C19 C14 120.48(12)
C18 C19 H19 119.8
C14 C19 H19 119.8
C1 Cg1 C2 142.73(9)
C1 Cg1 N1 72.65(8)
C2 Cg1 N1 144.62(8)
C1 Cg1 N2 69.79(8)
C2 Cg1 N2 72.94(8)
N1 Cg1 N2 142.43(7)
C1 Cg1 C3 144.55(9)
C2 Cg1 C3 72.71(8)
N1 Cg1 C3 71.92(8)
N2 Cg1 C3 145.65(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
N1 Cg1 . 1.1544(11)
N1 C1 . 1.3570(16)
N1 C3 . 1.3813(15)
N1 H1 . 0.888(16)
N2 Cg1 . 1.1751(11)
N2 C1 . 1.3228(15)
N2 C2 . 1.3796(15)
N3 C8 . 1.3382(18)
N3 C4 . 1.3465(16)
N4 C13 . 1.3435(16)
N4 C9 . 1.3456(15)
C1 Cg1 . 1.1364(11)
C1 C14 . 1.4650(16)
C2 Cg1 . 1.1454(11)
C2 C3 . 1.3893(18)
C2 C9 . 1.4774(16)
C3 Cg1 . 1.1972(12)
C3 C4 . 1.4686(17)
C4 Cg2 . 1.3514(13)
C4 C5 . 1.3909(17)
C5 C6 . 1.3788(19)
C5 H5 . 0.9500
C6 C7 . 1.374(2)
C6 H6 . 0.9500
C7 C8 . 1.377(2)
C7 H7 . 0.9500
C8 H8 . 0.9500
C9 C10 . 1.3913(19)
C10 C11 . 1.3759(17)
C10 H10 . 0.9500
C11 C12 . 1.3846(18)
C11 H11 . 0.9500
C12 C13 . 1.3753(19)
C12 H12 . 0.9500
C13 H13 . 0.9500
C14 C15 . 1.3907(17)
C14 C19 . 1.3919(18)
C14 Cg3 . 1.3942(12)
C15 C16 . 1.3841(17)
C15 H15 . 0.9500
C16 C17 . 1.381(2)
C16 H16 . 0.9500
C17 C18 . 1.3841(19)
C17 H17 . 0.9500
C18 C19 . 1.3825(17)
C18 H18 . 0.9500
C19 H19 . 0.9500
Cg2 Cg3 1_655 3.6866
Cg3 Cg4 3_755 3.9773
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
C15 H15 N4 4_565 0.95 2.59 3.442(2) 149
N1 H1 N4 4_565 0.89(2) 2.73(2) 3.432(2) 137.0(10)
C13 H13 N3 4_666 0.95 2.72 3.505(2) 141
C16 H16 Cg1 4_565 0.95 2.88 3.6710(10) 142
C7 H7 Cg4 4_665 0.95 2.79 3.7080(10) 163
C5 H5 N4 . 0.95 2.31 3.068(2) 137
N1 H1 N3 . 0.89(2) 2.37(2) 2.669(2) 100.0(10)
C11 H11 Cg2 2_745 0.95 2.93 3.7720(10) 148
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
C2 N2 C1 Cg1 -0.20(8)
Cg1 N2 C1 N1 -0.66(8)
C2 N2 C1 N1 -0.87(14)
Cg1 N2 C1 C14 177.20(15)
C2 N2 C1 C14 176.99(11)
C3 N1 C1 Cg1 0.83(8)
Cg1 N1 C1 N2 0.68(8)
C3 N1 C1 N2 1.51(14)
Cg1 N1 C1 C14 -177.14(15)
C3 N1 C1 C14 -176.31(12)
C1 N2 C2 Cg1 0.21(8)
Cg1 N2 C2 C3 -0.30(8)
C1 N2 C2 C3 -0.09(14)
Cg1 N2 C2 C9 179.24(13)
C1 N2 C2 C9 179.44(11)
C1 N1 C3 Cg1 -0.81(8)
Cg1 N1 C3 C2 -0.66(7)
C1 N1 C3 C2 -1.47(13)
Cg1 N1 C3 C4 176.16(13)
C1 N1 C3 C4 175.36(11)
N2 C2 C3 Cg1 0.30(8)
C9 C2 C3 Cg1 -179.13(17)
Cg1 C2 C3 N1 0.67(8)
N2 C2 C3 N1 0.97(14)
C9 C2 C3 N1 -178.46(13)
Cg1 C2 C3 C4 -175.16(18)
N2 C2 C3 C4 -174.86(14)
C9 C2 C3 C4 5.7(3)
C8 N3 C4 Cg2 -0.24(11)
C8 N3 C4 C5 -0.53(19)
C8 N3 C4 C3 -177.97(12)
Cg1 C3 C4 N3 27.1(7)
N1 C3 C4 N3 9.70(16)
C2 C3 C4 N3 -174.85(14)
Cg1 C3 C4 Cg2 1(2)
N1 C3 C4 Cg2 -16.6(15)
C2 C3 C4 Cg2 158.8(13)
Cg1 C3 C4 C5 -150.2(6)
N1 C3 C4 C5 -167.68(12)
C2 C3 C4 C5 7.8(2)
N3 C4 C5 C6 0.3(2)
Cg2 C4 C5 C6 0.05(11)
C3 C4 C5 C6 177.53(12)
C4 C5 C6 C7 0.2(2)
C5 C6 C7 C8 -0.5(2)
C4 N3 C8 C7 0.2(2)
C6 C7 C8 N3 0.3(2)
C13 N4 C9 C10 0.89(19)
C13 N4 C9 C2 179.00(11)
Cg1 C2 C9 N4 -154.6(7)
N2 C2 C9 N4 -158.53(11)
C3 C2 C9 N4 20.9(2)
Cg1 C2 C9 C10 23.6(8)
N2 C2 C9 C10 19.64(17)
C3 C2 C9 C10 -160.96(13)
N4 C9 C10 C11 -0.4(2)
C2 C9 C10 C11 -178.53(11)
C9 C10 C11 C12 0.2(2)
C10 C11 C12 C13 -0.5(2)
C9 N4 C13 C12 -1.2(2)
C11 C12 C13 N4 1.0(2)
Cg1 C1 C14 C15 -91(3)
N2 C1 C14 C15 171.95(12)
N1 C1 C14 C15 -10.5(2)
Cg1 C1 C14 C19 90(3)
N2 C1 C14 C19 -7.35(19)
N1 C1 C14 C19 170.20(12)
Cg1 C1 C14 Cg3 124(3)
N2 C1 C14 Cg3 27(3)
N1 C1 C14 Cg3 -155(3)
C19 C14 C15 C16 1.3(2)
Cg3 C14 C15 C16 0.35(11)
C1 C14 C15 C16 -177.96(12)
C14 C15 C16 C17 0.1(2)
C15 C16 C17 C18 -0.9(2)
C16 C17 C18 C19 0.4(2)
C17 C18 C19 C14 1.0(2)
C15 C14 C19 C18 -1.9(2)
Cg3 C14 C19 C18 -0.90(11)
C1 C14 C19 C18 177.43(12)
N2 C1 Cg1 C2 0.39(16)
N1 C1 Cg1 C2 179.63(13)
C14 C1 Cg1 C2 -98(3)
N2 C1 Cg1 N1 -179.24(9)
C14 C1 Cg1 N1 82(3)
N1 C1 Cg1 N2 179.24(9)
C14 C1 Cg1 N2 -98(3)
N2 C1 Cg1 C3 179.19(13)
N1 C1 Cg1 C3 -1.57(16)
C14 C1 Cg1 C3 81(3)
N2 C2 Cg1 C1 -0.38(15)
C3 C2 Cg1 C1 179.27(14)
C9 C2 Cg1 C1 -4.7(8)
N2 C2 Cg1 N1 179.00(13)
C3 C2 Cg1 N1 -1.34(15)
C9 C2 Cg1 N1 174.7(7)
C3 C2 Cg1 N2 179.65(9)
C9 C2 Cg1 N2 -4.4(7)
N2 C2 Cg1 C3 -179.65(9)
C9 C2 Cg1 C3 176.0(8)
C3 N1 Cg1 C1 -179.04(10)
C1 N1 Cg1 C2 -179.61(14)
C3 N1 Cg1 C2 1.35(15)
C1 N1 Cg1 N2 -1.17(14)
C3 N1 Cg1 N2 179.79(12)
C1 N1 Cg1 C3 179.04(10)
C2 N2 Cg1 C1 179.75(10)
C1 N2 Cg1 C2 -179.75(10)
C1 N2 Cg1 N1 1.19(14)
C2 N2 Cg1 N1 -179.05(12)
C1 N2 Cg1 C3 -179.17(14)
C2 N2 Cg1 C3 0.59(15)
N1 C3 Cg1 C1 1.58(16)
C2 C3 Cg1 C1 -179.24(14)
C4 C3 Cg1 C1 -17.9(7)
N1 C3 Cg1 C2 -179.18(9)
C4 C3 Cg1 C2 161.3(7)
C2 C3 Cg1 N1 179.18(9)
C4 C3 Cg1 N1 -19.5(6)
N1 C3 Cg1 N2 -179.77(13)
C2 C3 Cg1 N2 -0.59(15)
C4 C3 Cg1 N2 160.7(6)