#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/54/2005484.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_2005484
_publ_section_title
;
trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              2586
_journal_page_last               2588
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'C18 H18 N2 O2'
_chemical_formula_moiety         'C18 H18 N2 O2'
_chemical_formula_sum            'C18 H18 N2 O2'
_chemical_formula_weight         294.34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   15.7468(4)
_cell_length_b                   17.3677(5)
_cell_length_c                   11.5306(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3153.7(4)
_exptl_crystal_density_diffrn    1.240
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               2005484
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N1 1 0.35661(7) 0.43268(6) 0.13688(10) 0.0462(3)
C2 1 0.32267(8) 0.49537(8) 0.10684(11) 0.0436(3)
C3 1 0.36508(8) 0.57259(8) 0.08945(11) 0.0440(3)
H3 1 0.36006(8) 0.58518(8) 0.00689(11) 0.053
N4 1 0.45564(7) 0.57210(7) 0.11698(10) 0.0473(3)
C5 1 0.48912(8) 0.50968(8) 0.14906(11) 0.0450(3)
C6 1 0.44772(8) 0.43169(8) 0.16126(11) 0.0448(3)
H6 1 0.47417(8) 0.39767(8) 0.10388(11) 0.054
O21 1 0.23921(6) 0.49959(5) 0.08198(9) 0.0550(3)
C22 1 0.19135(10) 0.42947(9) 0.0962(2) 0.0670(5)
H22A 1 0.1331(2) 0.4385(2) 0.0755(11) 0.100
H22B 1 0.1944(7) 0.4130(4) 0.1755(3) 0.100
H22C 1 0.2146(5) 0.3902(2) 0.0469(8) 0.100
O51 1 0.57249(6) 0.50568(6) 0.17541(9) 0.0587(3)
C52 1 0.61902(10) 0.57731(11) 0.17297(14) 0.0692(5)
H52A 1 0.6767(2) 0.5682(2) 0.1961(11) 0.104
H52B 1 0.5932(5) 0.6133(3) 0.2254(9) 0.104
H52C 1 0.6181(7) 0.5980(4) 0.0958(3) 0.104
C1' 1 0.32039(8) 0.63625(7) 0.15598(11) 0.0431(3)
C2' 1 0.25669(9) 0.67887(8) 0.10408(13) 0.0534(4)
H2' 1 0.24092(9) 0.66809(8) 0.02807(13) 0.064
C3' 1 0.21616(10) 0.73733(9) 0.1638(2) 0.0647(4)
H3' 1 0.17379(10) 0.76586(9) 0.1276(2) 0.078
C4' 1 0.23830(10) 0.75341(9) 0.2765(2) 0.0673(4)
H4' 1 0.21086(10) 0.79256(9) 0.3168(2) 0.081
C5' 1 0.30127(11) 0.71126(9) 0.32934(14) 0.0633(4)
H5' 1 0.31638(11) 0.72196(9) 0.40562(14) 0.076
C6' 1 0.34231(9) 0.65298(8) 0.26967(12) 0.0523(3)
H6' 1 0.38490(9) 0.62485(8) 0.30609(12) 0.063
C1" 1 0.46220(7) 0.39571(8) 0.27945(11) 0.0441(3)
C2" 1 0.50493(10) 0.32704(9) 0.29123(15) 0.0619(4)
H2" 1 0.52798(10) 0.30343(9) 0.22604(15) 0.074
C3" 1 0.51408(12) 0.29264(11) 0.3988(2) 0.0768(5)
H3" 1 0.54209(12) 0.24569(11) 0.4052(2) 0.092
C4" 1 0.48210(11) 0.32742(11) 0.4955(2) 0.0695(5)
H4" 1 0.48890(11) 0.30464(11) 0.5679(2) 0.083
C5" 1 0.44001(11) 0.39596(11) 0.48541(14) 0.0695(5)
H5" 1 0.41823(11) 0.41995(11) 0.55110(14) 0.083
C6" 1 0.42981(10) 0.42958(9) 0.37787(13) 0.0594(4)
H6" 1 0.40054(10) 0.47592(9) 0.37180(13) 0.071