#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005706.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_2005706
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	3234
_journal_page_last    	3236
_publ_section_title
;
4,4'-[1,6-Hexanediylbis(oxy)]bisbenzaldehyde
;
_chemical_formula_moiety    	'C20 H22 O4'
_chemical_formula_sum    	'C20 H22 O4'
_chemical_formula_weight    	326.69
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
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
_cell_length_a    	5.268(5)
_cell_length_b    	9.826(7)
_cell_length_c    	16.572(8)
_cell_angle_alpha    	90
_cell_angle_beta    	96.48(5)
_cell_angle_gamma    	90
_cell_volume    	852.3(10)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.27
_cell_measurement_temperature    	293
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
    O1 1.0000 -0.0114(2) 0.2830(1) 0.63932(8) 0.0483
    O2 1.0000 -0.7823(3) -0.2206(2) 0.6306(1) 0.0684
    C1 1.0000 -0.7228(4) -0.1290(2) 0.6774(1) 0.0524
    C2 1.0000 -0.5273(4) -0.0270(2) 0.6677(1) 0.0420
    C3 1.0000 -0.3884(4) -0.0285(2) 0.6016(1) 0.0479
    C4 1.0000 -0.2139(4) 0.0723(2) 0.5899(1) 0.0458
    C5 1.0000 -0.1728(3) 0.1765(2) 0.6461(1) 0.0409
    C6 1.0000 -0.3044(4) 0.1771(2) 0.7141(1) 0.0470
    C7 1.0000 -0.4797(4) 0.0767(2) 0.7243(1) 0.0474
    C8 1.0000 0.1252(4) 0.2889(2) 0.5688(1) 0.0443
    C9 1.0000 0.2806(4) 0.4175(2) 0.5734(1) 0.0458
    C10 1.0000 0.4209(4) 0.4356(2) 0.4990(1) 0.0465
    H1 1.0000 -0.813(4) -0.118(2) 0.730(1) 0.054(2)
    H3 1.0000 -0.418(3) -0.101(2) 0.563(1) 0.054(2)
    H4 1.0000 -0.125(4) 0.073(2) 0.541(1) 0.054(2)
    H6 1.0000 -0.273(4) 0.247(2) 0.753(1) 0.054(2)
    H7 1.0000 -0.570(3) 0.079(2) 0.772(1) 0.054(2)
    H81 1.0000 0.228(4) 0.208(2) 0.567(1) 0.054(2)
    H82 1.0000 0.003(4) 0.285(2) 0.518(1) 0.054(2)
    H91 1.0000 0.173(4) 0.496(2) 0.578(1) 0.054(2)
    H92 1.0000 0.400(4) 0.418(2) 0.621(1) 0.054(2)
    H101 1.0000 0.302(4) 0.431(2) 0.449(1) 0.054(2)
    H102 1.0000 0.526(4) 0.358(2) 0.492(1) 0.054(2)
_cod_database_code 2005706