#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202521.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_2202521
loop_
_publ_author_name
'Cao, Xiao-Dan'
'Liu, Dong-Zhi'
Zhou,Xue-Qin
'Sun, Shao-Feng'
_publ_section_title
;
{4-[(1-Naphthyl)vinyl]phenyl}di-p-tolylamine
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              o1923
_journal_page_last               o1924
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C32 H27 N'
_chemical_formula_moiety         'C32 H27 N'
_chemical_formula_sum            'C32 H27 N'
_chemical_formula_weight         425.55
_chemical_melting_point          .383E-305
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.094(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.482(7)
_cell_length_b                   17.045(7)
_cell_length_c                   8.635(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2421.9(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.167
_[local]_cod_cif_authors_sg_H-M  'C c'
_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_database_code               2202521
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_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
_atom_site_type_symbol
N1 0.1212(3) 0.18419(18) 0.4176(7) 0.0544(9) Uani d . 1 . . N
C1 0.1941(3) 0.1443(3) 0.4472(6) 0.0491(12) Uani d . 1 . . C
C2 0.2680(3) 0.1696(3) 0.5739(7) 0.0623(14) Uani d . 1 . . C
H2 0.2708 0.2120 0.6443 0.075 Uiso calc R 1 . . H
C3 0.3376(3) 0.1319(4) 0.5954(8) 0.0720(16) Uani d . 1 . . C
H3 0.3873 0.1500 0.6807 0.086 Uiso calc R 1 . . H
C4 0.3367(3) 0.0693(3) 0.4971(8) 0.0643(15) Uani d . 1 . . C
C5 0.2617(3) 0.0437(3) 0.3715(7) 0.0646(15) Uani d . 1 . . C
H5 0.2588 0.0006 0.3027 0.078 Uiso calc R 1 . . H
C6 0.1911(3) 0.0811(3) 0.3471(7) 0.0570(13) Uani d U 1 . . C
H6 0.1413 0.0633 0.2620 0.068 Uiso calc R 1 . . H
C7 0.4135(4) 0.0291(5) 0.5208(11) 0.101(2) Uani d . 1 . . C
H7A 0.4543 0.0678 0.5383 0.152 Uiso calc R 1 . . H
H7B 0.4029 -0.0012 0.4190 0.152 Uiso calc R 1 . . H
H7C 0.4325 -0.0048 0.6203 0.152 Uiso calc R 1 . . H
C8 0.0517(3) 0.1396(3) 0.3910(7) 0.0517(13) Uani d . 1 . . C
C9 0.0576(3) 0.0757(4) 0.4948(8) 0.0739(17) Uani d . 1 . . C
H9 0.1079 0.0621 0.5849 0.089 Uiso calc R 1 . . H
C10 -0.0097(4) 0.0320(4) 0.4670(9) 0.0780(17) Uani d . 1 . . C
H10 -0.0039 -0.0106 0.5388 0.094 Uiso calc R 1 . . H
C11 -0.0845(3) 0.0496(3) 0.3367(7) 0.0608(14) Uani d . 1 . . C
C12 -0.0916(3) 0.1139(4) 0.2354(7) 0.0658(15) Uani d . 1 . . C
H12 -0.1425 0.1280 0.1483 0.079 Uiso calc R 1 . . H
C13 -0.0241(3) 0.1584(3) 0.2602(7) 0.0592(14) Uani d . 1 . . C
H13 -0.0302 0.2011 0.1882 0.071 Uiso calc R 1 . . H
C14 -0.1582(4) 0.0004(4) 0.3066(9) 0.090(2) Uani d . 1 . . C
H14A -0.2065 0.0257 0.2221 0.135 Uiso calc R 1 . . H
H14B -0.1614 -0.0052 0.4140 0.135 Uiso calc R 1 . . H
H14C -0.1534 -0.0505 0.2645 0.135 Uiso calc R 1 . . H
C15 0.1190(3) 0.2659(2) 0.4240(7) 0.0477(10) Uani d . 1 . . C
C16 0.0721(3) 0.3039(3) 0.4874(7) 0.0539(13) Uani d . 1 . . C
H16 0.0416 0.2744 0.5270 0.065 Uiso calc R 1 . . H
C17 0.0694(3) 0.3846(3) 0.4937(7) 0.0595(13) Uani d . 1 . . C
H17 0.0364 0.4081 0.5354 0.071 Uiso calc R 1 . . H
C18 0.1148(3) 0.4313(3) 0.4393(7) 0.0540(12) Uani d . 1 . . C
C19 0.1629(3) 0.3932(3) 0.3758(6) 0.0554(13) Uani d . 1 . . C
H19 0.1943 0.4227 0.3386 0.066 Uiso calc R 1 . . H
C20 0.1642(3) 0.3126(3) 0.3677(6) 0.0530(13) Uani d . 1 . . C
H20 0.1962 0.2887 0.3235 0.064 Uiso calc R 1 . . H
C21 0.1092(3) 0.5166(3) 0.4529(7) 0.0614(13) Uani d . 1 . . C
H21 0.0739 0.5345 0.4948 0.074 Uiso calc R 1 . . H
C22 0.1483(3) 0.5707(3) 0.4125(7) 0.0672(15) Uani d . 1 . . C
H22 0.1846 0.5540 0.3721 0.081 Uiso calc R 1 . . H
C23 0.1394(4) 0.6557(3) 0.4263(8) 0.0688(18) Uani d . 1 . . C
C24 0.0682(5) 0.6879(4) 0.4052(9) 0.092(2) Uani d . 1 . . C
H24 0.0247 0.6548 0.3845 0.111 Uiso calc R 1 . . H
C25 0.0578(7) 0.7689(6) 0.4132(11) 0.114(3) Uani d U 1 . . C
H25 0.0082 0.7888 0.3980 0.137 Uiso calc R 1 . . H
C26 0.1182(9) 0.8166(5) 0.4421(13) 0.118(3) Uani d U 1 . . C
H26 0.1102 0.8703 0.4452 0.141 Uiso calc R 1 . . H
C27 0.1936(7) 0.7895(4) 0.4682(10) 0.100(2) Uani d U 1 . . C
C28 0.2058(5) 0.7066(3) 0.4607(8) 0.0794(18) Uani d . 1 . . C
C29 0.2826(5) 0.6806(4) 0.4872(9) 0.094(2) Uani d . 1 . . C
H29 0.2899 0.6271 0.4786 0.112 Uiso calc R 1 . . H
C30 0.3481(6) 0.7299(5) 0.5254(11) 0.127(3) Uani d U 1 . . C
H30 0.3981 0.7107 0.5415 0.152 Uiso calc R 1 . . H
C31 0.3353(7) 0.8110(6) 0.5387(13) 0.140(3) Uani d U 1 . . C
H31 0.3782 0.8458 0.5679 0.168 Uiso calc R 1 . . H
C32 0.2614(8) 0.8386(5) 0.5097(12) 0.125(3) Uani d U 1 . . C
H32 0.2552 0.8924 0.5175 0.150 Uiso calc R 1 . . H
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 0.0410(18) 0.0349(18) 0.087(3) 0.000(2) 0.0293(17) 0.001(2)
C1 0.042(3) 0.043(3) 0.060(3) 0.002(2) 0.020(3) 0.003(2)
C2 0.054(3) 0.055(3) 0.072(4) 0.000(3) 0.024(3) -0.010(3)
C3 0.044(3) 0.067(4) 0.085(4) -0.001(3) 0.012(3) -0.001(3)
C4 0.050(3) 0.065(4) 0.082(4) 0.014(3) 0.034(3) 0.013(3)
C5 0.063(4) 0.056(3) 0.076(4) 0.011(3) 0.033(3) 0.000(3)
C6 0.046(3) 0.044(3) 0.070(3) -0.005(2) 0.017(3) -0.006(2)
C7 0.068(4) 0.105(5) 0.136(6) 0.025(4) 0.051(4) 0.006(4)
C8 0.047(3) 0.040(3) 0.073(4) 0.001(2) 0.031(3) 0.000(3)
C9 0.044(3) 0.075(4) 0.091(4) -0.001(3) 0.021(3) 0.024(3)
C10 0.064(4) 0.068(4) 0.096(4) -0.004(3) 0.031(3) 0.022(3)
C11 0.054(3) 0.063(3) 0.068(4) -0.010(3) 0.030(3) -0.008(3)
C12 0.045(3) 0.078(4) 0.064(3) -0.002(3) 0.016(3) -0.012(3)
C13 0.054(3) 0.056(3) 0.064(4) 0.006(3) 0.023(3) 0.005(2)
C14 0.068(4) 0.097(5) 0.107(5) -0.030(4) 0.041(4) -0.019(4)
C15 0.042(2) 0.042(2) 0.058(2) 0.000(2) 0.0220(19) 0.001(3)
C16 0.059(3) 0.047(3) 0.065(3) 0.001(2) 0.036(3) 0.001(2)
C17 0.061(3) 0.055(3) 0.066(3) 0.006(3) 0.032(3) -0.002(3)
C18 0.044(3) 0.045(3) 0.059(3) -0.002(3) 0.011(2) -0.006(2)
C19 0.051(3) 0.048(3) 0.063(3) -0.007(2) 0.022(3) 0.013(3)
C20 0.049(3) 0.053(3) 0.061(3) -0.001(2) 0.029(3) -0.002(2)
C21 0.052(3) 0.062(3) 0.069(3) 0.003(3) 0.026(2) 0.002(3)
C22 0.077(4) 0.056(3) 0.064(3) 0.000(3) 0.029(3) -0.002(3)
C23 0.107(6) 0.043(3) 0.055(3) 0.015(3) 0.035(3) 0.000(3)
C24 0.133(6) 0.058(4) 0.087(5) 0.023(4) 0.051(4) 0.006(3)
C25 0.146(7) 0.103(6) 0.097(5) 0.038(5) 0.059(5) -0.001(4)
C26 0.174(7) 0.073(4) 0.101(5) 0.013(6) 0.058(5) 0.002(4)
C27 0.159(6) 0.069(4) 0.075(4) -0.024(5) 0.057(4) -0.004(4)
C28 0.140(6) 0.046(3) 0.056(3) -0.007(4) 0.047(4) -0.003(3)
C29 0.119(6) 0.072(4) 0.091(5) -0.019(4) 0.049(4) -0.009(4)
C30 0.166(7) 0.105(5) 0.110(5) -0.046(5) 0.064(5) -0.016(4)
C31 0.177(7) 0.114(6) 0.125(6) -0.061(6) 0.064(6) -0.015(5)
C32 0.193(8) 0.074(4) 0.103(5) -0.027(5) 0.063(5) -0.012(4)
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
N1 C15 . 1.395(5) ?
N1 C8 . 1.417(6) ?
N1 C1 . 1.425(6) ?
C1 C6 . 1.367(7) ?
C1 C2 . 1.374(7) ?
C2 C3 . 1.373(8) ?
C2 H2 . 0.93 ?
C3 C4 . 1.360(8) ?
C3 H3 . 0.93 ?
C4 C5 . 1.386(8) ?
C4 C7 . 1.503(8) ?
C5 C6 . 1.378(7) ?
C5 H5 . 0.93 ?
C6 H6 . 0.93 ?
C7 H7A . 0.96 ?
C7 H7B . 0.96 ?
C7 H7C . 0.96 ?
C8 C13 . 1.378(7) ?
C8 C9 . 1.384(8) ?
C9 C10 . 1.374(8) ?
C9 H9 . 0.93 ?
C10 C11 . 1.361(8) ?
C10 H10 . 0.93 ?
C11 C12 . 1.370(8) ?
C11 C14 . 1.518(7) ?
C12 C13 . 1.391(7) ?
C12 H12 . 0.93 ?
C13 H13 . 0.93 ?
C14 H14A . 0.96 ?
C14 H14B . 0.96 ?
C14 H14C . 0.96 ?
C15 C16 . 1.379(7) ?
C15 C20 . 1.393(7) ?
C16 C17 . 1.377(7) ?
C16 H16 . 0.93 ?
C17 C18 . 1.384(7) ?
C17 H17 . 0.93 ?
C18 C19 . 1.398(7) ?
C18 C21 . 1.467(7) ?
C19 C20 . 1.377(7) ?
C19 H19 . 0.93 ?
C20 H20 . 0.93 ?
C21 C22 . 1.314(7) ?
C21 H21 . 0.93 ?
C22 C23 . 1.469(7) ?
C22 H22 . 0.93 ?
C23 C24 . 1.358(9) ?
C23 C28 . 1.419(9) ?
C24 C25 . 1.401(11) ?
C24 H24 . 0.93 ?
C25 C26 . 1.309(13) ?
C25 H25 . 0.93 ?
C26 C27 . 1.386(14) ?
C26 H26 . 0.93 ?
C27 C32 . 1.412(13) ?
C27 C28 . 1.435(9) ?
C28 C29 . 1.403(10) ?
C29 C30 . 1.385(10) ?
C29 H29 . 0.93 ?
C30 C31 . 1.415(13) ?
C30 H30 . 0.93 ?
C31 C32 . 1.355(12) ?
C31 H31 . 0.93 ?
C32 H32 . 0.93 ?