#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2300042.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_2300042
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              410
_journal_page_last               416
_journal_volume                  37
_journal_year                    2004
_chemical_formula_moiety         ' C2 H4 O2 '
_chemical_formula_sum            'C2 H4 O2'
_chemical_formula_weight         60.05
_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'
_cell_angle_alpha                90
_cell_angle_beta                 93.177(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.9447(6)
_cell_length_b                   13.028(2)
_cell_length_c                   5.6407(9)
_cell_measurement_temperature    293
_cell_volume                     289.44(8)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.378
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_[local]_cod_chemical_formula_sum_orig ' C2 H4 O2 '
_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               2300042
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1 0.4025(6) 0.37335(15) 0.4339(4) 0.0563 Uani 1.0000 . . O
C1 0.2243(8) 0.3357(3) 0.6031(6) 0.0421 Uani 1.0000 . . C
O2 0.1455(5) 0.24643(18) 0.6091(4) 0.0538 Uani 1.0000 . . O
C2 0.1409(8) 0.4134(2) 0.7850(6) 0.0526 Uani 1.0000 . . C
H1 0.449(9) 0.3271(10) 0.345(5) 0.088(6) Uiso 1.0000 . . H
H21 -0.014(4) 0.4574(11) 0.7219(17) 0.088(6) Uiso 1.0000 . . H
H22 0.329(2) 0.4477(13) 0.832(3) 0.088(6) Uiso 1.0000 . . H
H23 0.057(6) 0.3816(5) 0.910(2) 0.088(6) Uiso 1.0000 . . 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
O1 0.0780(17) 0.0409(18) 0.053(2) -0.0057(11) 0.0286(16) -0.0025(10)
C1 0.046(2) 0.036(3) 0.045(3) 0.0015(15) 0.007(2) 0.0021(14)
O2 0.0735(18) 0.043(2) 0.047(3) -0.0065(11) 0.0203(18) -0.0034(10)
C2 0.059(3) 0.049(3) 0.052(4) 0.0041(14) 0.014(3) -0.0063(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C1 . . 1.312(3) yes
O1 H1 . . 0.812(9) no
C1 O2 . . 1.205(3) yes
C1 C2 . . 1.491(4) yes
C2 H21 . . 0.896(7) no
C2 H22 . . 0.895(7) no
C2 H23 . . 0.898(7) no