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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005695.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_2005695
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2883
_journal_page_last 	2885
_publ_section_title 	
;
Methyl 2-Benzoyloxy-3-oxo-3-phenylpropanoate
;
_chemical_formula_moiety 	'C17 H14 O5'
_chemical_formula_sum 	'C17 H14 O5'
_chemical_formula_weight 	298.28
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M 	'P 21/n'
_cell_length_a 	6.070(2)
_cell_length_b 	12.824(3)
_cell_length_c 	18.457(5)
_cell_angle_alpha 	90.00
_cell_angle_beta 	93.14(3)
_cell_angle_gamma 	90.00
_cell_volume 	1434.5(6)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.381
_cell_measurement_temperature 	151(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 -0.4124(2) 0.48828(9) 0.89600(7) 0.0300(3)
 O2 1 -0.1443(2) 0.38118(10) 0.86161(8) 0.0365(4)
 O3 1 0.0746(2) 0.53973(9) 0.80772(7) 0.0260(3)
 O4 1 0.1160(2) 0.61582(10) 0.94630(7) 0.0351(4)
 O5 1 0.1079(2) 0.70868(10) 0.77920(7) 0.0313(4)
 C8 1 -0.5010(3) 0.86417(15) 0.98486(11) 0.0316(5)
 H8 1 -0.5981(3) 0.91322(15) 1.00216(11) 0.038
 C6 1 -0.4142(3) 0.73463(14) 0.89817(11) 0.0261(5)
 H6 1 -0.4528(3) 0.69714(14) 0.85624(11) 0.031
 C11 1 0.1704(3) 0.61984(15) 0.77371(10) 0.0234(4)
 C3 1 -0.1168(3) 0.56736(14) 0.84473(10) 0.0234(5)
 H3 1 -0.2201(3) 0.60561(14) 0.81187(10) 0.028
 C4 1 -0.0566(3) 0.63397(14) 0.91217(10) 0.0247(5)
 C5 1 -0.2122(3) 0.71606(14) 0.93523(10) 0.0223(4)
 C12 1 0.3554(3) 0.58501(14) 0.73089(10) 0.0224(4)
 C13 1 0.4065(3) 0.47992(15) 0.72300(10) 0.0269(5)
 H13 1 0.3189(3) 0.42917(15) 0.74305(10) 0.032
 C17 1 0.4844(3) 0.66015(15) 0.69954(10) 0.0253(5)
 H17 1 0.4494(3) 0.73036(15) 0.70412(10) 0.030
 C1 1 -0.5392(3) 0.40056(15) 0.92035(11) 0.0360(5)
 H1A 1 -0.6769(9) 0.4250(2) 0.9372(6) 0.054
 H1B 1 -0.4577(9) 0.3656(6) 0.9592(5) 0.054
 H1C 1 -0.5673(17) 0.3529(5) 0.8808(2) 0.054
 C16 1 0.6648(3) 0.6311(2) 0.66151(10) 0.0292(5)
 H16 1 0.7510(3) 0.6816(2) 0.64057(10) 0.035
 C7 1 -0.5585(3) 0.80844(15) 0.92314(11) 0.0299(5)
 H7 1 -0.6936(3) 0.82020(15) 0.89824(11) 0.036
 C9 1 -0.2982(3) 0.8473(2) 1.02144(11) 0.0354(5)
 H9 1 -0.2586(3) 0.8861(2) 1.06270(11) 0.042
 C2 1 -0.2211(3) 0.4662(2) 0.86771(10) 0.0251(5)
 C10 1 -0.1552(3) 0.77348(14) 0.99697(11) 0.0304(5)
 H10 1 -0.0201(3) 0.76218(14) 1.02196(11) 0.037
 C15 1 0.7161(3) 0.5264(2) 0.65479(10) 0.0326(5)
 H15 1 0.8378(3) 0.5066(2) 0.62957(10) 0.039
 C14 1 0.5869(3) 0.4512(2) 0.68546(10) 0.0311(5)
 H14 1 0.6220(3) 0.3810(2) 0.68071(10) 0.037