#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004805.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_2004805
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	925
_journal_page_last    	929
_publ_section_title    	
;
2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol
;
_chemical_formula_sum    	'C15 H10 O4'
_chemical_formula_weight    	254.24
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	6.033(1)
_cell_length_b    	8.209(3)
_cell_length_c    	23.091(5)
_cell_angle_alpha    	90
_cell_angle_beta    	93.55(1)
_cell_angle_gamma    	90
_cell_volume    	1141.3
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.475
_cell_measurement_temperature    	294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
O1 0.3600(2) 0.1876(2) 0.20822(5) 2.38(2)
O4 -0.1809(2) -0.0407(2) 0.12963(5) 3.10(3)
O2' -0.0445(2) 0.3094(2) 0.30569(6) 3.07(3)
O6' 0.5770(2) -0.0518(2) 0.30384(6) 3.09(3)
C2 0.2059(3) 0.1113(2) 0.23950(7) 1.96(3)
C3 0.0285(3) 0.0348(2) 0.21534(8) 2.33(4)
C4 -0.0181(3) 0.0304(2) 0.15358(8) 2.22(3)
C5 0.1179(3) 0.1283(3) 0.05948(8) 2.84(4)
C6 0.2761(4) 0.2057(3) 0.02948(9) 3.54(5)
C7 0.4581(3) 0.2766(3) 0.05907(9) 3.69(5)
C8 0.4857(3) 0.2701(3) 0.11850(9) 3.04(4)
C9 0.3260(3) 0.1896(2) 0.14846(7) 2.16(3)
C10 0.1419(3) 0.1172(2) 0.12035(8) 2.15(3)
C1' 0.2569(3) 0.1276(2) 0.30282(7) 2.02(3)
C2' 0.1199(3) 0.2251(2) 0.33539(8) 2.20(3)
C3' 0.1562(3) 0.2370(3) 0.39509(8) 2.64(4)
C4' 0.3345(3) 0.1554(3) 0.42207(8) 2.94(4)
C5' 0.4749(3) 0.0620(3) 0.39125(8) 2.81(4)
C6' 0.4359(3) 0.0466(2) 0.33157(8) 2.20(3)
H3 -0.070(3) -0.019(2) 0.2406(8) 3.4(4)
H5 -0.012(3) 0.080(3) 0.0392(9) 4.1(5)
H6 0.256(3) 0.207(3) -0.0125(9) 4.7(5)
H7 0.564(3) 0.334(3) 0.0386(9) 4.3(5)
H8 0.610(3) 0.319(2) 0.1393(8) 3.1(4)
H2' -0.136(3) 0.361(3) 0.328(1) 5.7(6)
H3' 0.063(3) 0.308(2) 0.4162(8) 2.4(4)
H4' 0.364(3) 0.163(2) 0.4632(8) 2.9(4)
H5' 0.600(3) 0.007(2) 0.4100(9) 3.9(5)
H6' 0.535(3) -0.076(3) 0.271(1) 5.2(5)