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#$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005679.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_2005679
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2797
_journal_page_last 	2800
_publ_section_title
;
Two Photoproducts Derived from
11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene
;
_chemical_formula_iupac 	'C33 H28 O5'
_chemical_formula_sum 	'C33 H28 O5'
_chemical_formula_weight 	504.55
_symmetry_cell_setting 	Orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y-1/2, z'
_symmetry_space_group_name_H-M 	'P b c a'
_cell_length_a 	17.513(5)
_cell_length_b 	14.897(6)
_cell_length_c 	19.587(8)
_cell_angle_alpha 	90.00
_cell_angle_beta 	90.00
_cell_angle_gamma 	90.00
_cell_volume 	5110.1(33)
_cell_formula_units_Z 	8
_exptl_crystal_density_diffrn 	1.312
_cell_measurement_temperature 	293(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
 O1 1 0.88709(6) 0.40290(11) 0.56275(6) 0.0393(5)
 O2 1 0.84723(7) 0.11464(12) 0.60192(6) 0.0465(5)
 O3 1 0.96086(7) 0.1060(2) 0.71673(6) 0.0512(6)
 O4 1 0.85282(7) 0.28612(13) 0.72268(6) 0.0783(6)
 O10 1 0.97997(6) 0.11153(10) 0.59777(6) 0.0402(5)
 C1 1 0.91031(10) 0.1294(2) 0.44742(9) 0.0468(8)
 H1A 1 0.90860(10) 0.0674(2) 0.45234(9) 0.056
 C2 1 0.90749(11) 0.1683(3) 0.38344(10) 0.0543(11)
 H2A 1 0.90268(11) 0.1319(3) 0.34509(10) 0.065
 C3 1 0.91165(10) 0.2596(2) 0.37555(9) 0.0531(11)
 H3A 1 0.90864(10) 0.2845(2) 0.33208(9) 0.064
 C4 1 0.92032(9) 0.3152(2) 0.43180(8) 0.0407(7)
 H4A 1 0.92455(9) 0.3771(2) 0.42649(8) 0.049
 C4A 1 0.92255(8) 0.2764(2) 0.49633(8) 0.0295(8)
 C4B 1 0.93443(9) 0.3248(2) 0.56301(7) 0.0299(6)
 C4C 1 1.01783(9) 0.3472(2) 0.57521(8) 0.0310(6)
 C5 1 1.06149(10) 0.4070(2) 0.53834(9) 0.0429(7)
 H5A 1 1.04082(10) 0.4368(2) 0.50094(9) 0.051
 C6 1 1.13631(10) 0.4222(2) 0.55755(10) 0.0526(8)
 H6A 1 1.16606(10) 0.4631(2) 0.53345(10) 0.063
 C7 1 1.16685(11) 0.3768(2) 0.61245(10) 0.0508(8)
 H7A 1 1.21726(11) 0.3872(2) 0.62511(10) 0.061
 C8 1 1.12366(10) 0.3163(2) 0.64866(9) 0.0452(7)
 H8A 1 1.14489(10) 0.2855(2) 0.68537(9) 0.054
 C8A 1 1.04795(9) 0.30121(15) 0.63016(8) 0.0329(6)
 C8B 1 0.98952(9) 0.2420(2) 0.66381(8) 0.0307(8)
 H8BA 1 0.97948(9) 0.2625(2) 0.71050(8) 0.037
 C8C 1 0.91655(8) 0.2518(2) 0.61911(7) 0.0306(7)
 C8D 1 0.91268(9) 0.1612(2) 0.57989(8) 0.0371(7)
 C8E 1 0.91575(8) 0.1849(2) 0.50439(8) 0.0311(8)
 C9 1 1.00579(9) 0.1414(2) 0.66301(8) 0.0373(8)
 C10 1 0.84472(9) 0.2732(2) 0.66213(8) 0.0432(7)
 C11 1 0.76625(9) 0.28222(15) 0.63228(8) 0.0372(7)
 C12 1 0.70826(10) 0.3033(2) 0.67714(9) 0.0546(8)
 H12A 1 0.71973(10) 0.3148(2) 0.72267(9) 0.066
 C13 1 0.63351(11) 0.3076(2) 0.65532(11) 0.0664(9)
 H13A 1 0.59500(11) 0.3208(2) 0.68643(11) 0.080
 C14 1 0.61545(11) 0.2926(2) 0.58848(12) 0.0609(8)
 H14A 1 0.56492(11) 0.2955(2) 0.57403(12) 0.073
 C15 1 0.67252(10) 0.2732(2) 0.54281(10) 0.0526(8)
 H15A 1 0.66071(10) 0.2635(2) 0.49710(10) 0.063
 C16 1 0.74722(10) 0.2680(2) 0.56441(8) 0.0485(7)
 H16A 1 0.78545(10) 0.2548(2) 0.53303(8) 0.058
 C17 1 1.08902(9) 0.1136(2) 0.67007(9) 0.0394(7)
 C18 1 1.13490(11) 0.1025(2) 0.61351(10) 0.0499(8)
 H18A 1 1.11353(11) 0.1044(2) 0.57007(10) 0.060
 C19 1 1.21271(12) 0.0884(2) 0.62099(13) 0.0701(9)
 H19A 1 1.24337(12) 0.0819(2) 0.58254(13) 0.084
 C20 1 1.24462(13) 0.0840(2) 0.68470(15) 0.0753(9)
 H20A 1 1.29681(13) 0.0744(2) 0.68946(15) 0.090
 C21 1 1.19971(13) 0.0939(2) 0.74141(13) 0.0698(9)
 H21A 1 1.22146(13) 0.0906(2) 0.78466(13) 0.084
 C22 1 1.12164(11) 0.1086(2) 0.73457(10) 0.0558(8)
 H22A 1 1.09129(11) 0.1152(2) 0.77322(10) 0.067
 C23 1 0.89683(12) 0.4647(2) 0.61784(10) 0.0559(8)
 H23A 1 0.86225(12) 0.5141(2) 0.61227(10) 0.084
 H23B 1 0.94839(12) 0.4865(2) 0.61800(10) 0.084
 H23C 1 0.88638(12) 0.4349(2) 0.66028(10) 0.084
 C24 1 0.83022(12) 0.0310(2) 0.57024(13) 0.0705(10)
 H24A 1 0.78449(12) 0.0065(2) 0.58982(13) 0.106
 H24B 1 0.87181(12) -0.0099(2) 0.57739(13) 0.106
 H24C 1 0.82287(12) 0.0400(2) 0.52216(13) 0.106
 C25 1 0.95507(14) 0.0120(3) 0.71989(12) 0.0792(12)
 H25A 1 0.92355(14) -0.0047(3) 0.75793(12) 0.119
 H25B 1 1.00503(14) -0.0135(3) 0.72547(12) 0.119
 H25C 1 0.93269(14) -0.0101(3) 0.67841(12) 0.119