#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005614.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_2005614
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2936
_journal_page_last 	2939
_publ_section_title 	
;
cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone
;
_chemical_formula_moiety 	'C29 H22 O3'
_chemical_formula_sum 	'C29 H22 O3'
_chemical_formula_weight 	418.49
_symmetry_cell_setting 	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '1/2-x, 1/2-y, z'
 '1/2+x, -y, 1/2-z'
 '-x, 1/2+y, 1/2-z'
 '-x, -y, -z'
 '1/2+x, 1/2+y, -z'
 '1/2-x, y, 1/2+z'
 'x, 1/2-y, 1/2+z'
_symmetry_space_group_name_H-M 	'P c c n'
_cell_length_a 	24.856(5)
_cell_length_b 	22.041(5)
_cell_length_c 	7.921(3)
_cell_angle_alpha 	90.0
_cell_angle_beta 	90.0
_cell_angle_gamma 	90.0
_cell_volume 	4340(2)
_cell_formula_units_Z 	8
_exptl_crystal_density_diffrn 	1.281
_exptl_crystal_density_meas 	1.26
_cell_measurement_temperature 	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 0.06201(5) 0.46570(5) 0.00567(15) 3.84(6)
 O4 0.06147(4) 0.57199(5) 0.52881(14) 3.51(5)
 O5 -0.00172(4) 0.52413(4) 0.29818(13) 3.37(5)
 C1 0.07086(6) 0.48221(7) 0.1495(2) 3.00(8)
 C2 0.10093(6) 0.44817(7) 0.2792(2) 2.90(7)
 C3 0.10888(6) 0.48358(7) 0.4153(2) 2.89(7)
 C4 0.08831(6) 0.54795(7) 0.3870(2) 2.83(7)
 C5 0.04977(6) 0.54081(7) 0.2315(2) 2.83(7)
 C2A 0.12133(7) 0.38627(7) 0.2452(2) 3.22(8)
 C2B 0.17473(7) 0.37213(8) 0.2741(2) 4.01(9)
 C2C 0.19501(8) 0.31565(9) 0.2340(3) 5.28(11)
 C2D 0.16163(10) 0.27271(8) 0.1648(3) 5.84(12)
 C2E 0.10871(9) 0.28558(8) 0.1368(3) 5.45(11)
 C2F 0.08841(7) 0.34251(8) 0.1760(3) 4.39(10)
 C3A 0.13600(6) 0.46655(7) 0.5741(2) 3.14(8)
 C3B 0.16867(7) 0.50707(8) 0.6587(2) 4.37(9)
 C3C 0.19611(7) 0.49028(10) 0.8032(2) 5.02(11)
 C3D 0.18996(8) 0.43337(11) 0.8667(2) 5.17(11)
 C3E 0.15579(9) 0.39302(9) 0.7894(3) 5.14(10)
 C3F 0.12911(7) 0.40900(8) 0.6429(2) 4.08(9)
 C4A 0.13470(6) 0.59099(7) 0.3439(2) 2.98(7)
 C4B 0.17481(7) 0.57381(7) 0.2338(2) 4.03(9)
 C4C 0.21464(7) 0.61409(9) 0.1865(3) 5.09(11)
 C4D 0.21557(8) 0.67129(9) 0.2527(3) 6.13(13)
 C4E 0.17642(10) 0.68930(8) 0.3636(3) 5.94(12)
 C4F 0.13581(7) 0.64917(8) 0.4091(2) 4.24(9)
 C5A 0.04609(7) 0.59702(7) 0.1241(2) 3.08(8)
 C5B 0.01568(7) 0.64502(8) 0.1834(2) 4.12(9)
 C5C 0.01665(9) 0.70048(8) 0.1020(3) 5.61(11)
 C5D 0.04739(11) 0.70807(9) -0.0398(3) 6.46(13)
 C5E 0.07598(10) 0.66041(10) -0.1034(3) 6.28(12)
 C5F 0.07550(8) 0.60476(8) -0.0215(2) 4.49(10)
 H4 0.0329 0.5499 0.5524 7.1
 H5 -0.0252 0.5241 0.2154 6.9
 H2B 0.1974 0.4019 0.3210 3.4
 H2C 0.2339 0.3073 0.2570 6.2
 H2D 0.1752 0.2334 0.1368 6.2
 H2E 0.0856 0.2555 0.0898 6.9
 H2F 0.0508 0.3523 0.1548 3.9
 H3B 0.1734 0.5470 0.6166 5.3
 H3C 0.2211 0.5201 0.8584 7.7
 H3D 0.2094 0.4223 0.9666 5.1
 H3E 0.1498 0.3533 0.8362 6.3
 H3F 0.1028 0.3811 0.5875 4.8
 H4B 0.1747 0.5328 0.1874 4.3
 H4C 0.2437 0.6004 0.1046 6.2
 H4D 0.2452 0.7001 0.2168 7.7
 H4E 0.1770 0.7313 0.4104 7.1
 H4F 0.1078 0.6614 0.4861 4.3
 H5B -0.0066 0.6381 0.2867 4.6
 H5C -0.0051 0.7353 0.1485 7.3
 H5D 0.0502 0.7470 -0.0967 7.2
 H5E 0.0967 0.6657 -0.2034 7.6
 H5F 0.0962 0.5726 -0.0663 3.6