#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004804.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_2004804
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_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
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x,-y,1/2+z'
'-x,-y,-z'
'-x,y,1/2-z'
'1/2+x,1/2+y,z'
'1/2+x,1/2-y,1/2+z'
'1/2-x,1/2-y,-z'
'1/2-x,1/2+y,1/2-z'
_cell_length_a    	18.285(2)
_cell_length_b    	7.726(1)
_cell_length_c    	16.927(2)
_cell_angle_alpha    	90
_cell_angle_beta    	102.15(1)
_cell_angle_gamma    	90
_cell_volume    	2337.7(5)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.445
_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
O(1) .0142(1) -.0237(1) .6613(1) .043(1)
C(2) .0481(1) .1347(2) .6671(1) .037(1)
C(3) .0226(1) .2616(2) .6125(1) .036(1)
O(3) .0592(1) .4159(2) .6195(1) .047(1)
C(4) -.0409(1) .2368(2) .5471(1) .037(1)
O(4) -.0638(1) .3536(2) .4976(1) .051(1)
C(5) -.1356(1) .0202(2) .4804(1) .047(1)
C(6) -.1651(1) -.1431(3) .4773(1) .057(1)
C(7) -.1350(1) -.2649(3) .5362(1) .060(1)
C(8) -.0758(1) -.2241(2) .5975(1) .052(1)
C(9) -.0456(1) -.0576(2) .6002(1) .039(1)
C(10) -.0748(1) .0660(2) .5425(1) .037(1)
C(1') .1144(1) .1394(2) .7340(1) .042(1)
C(2') .1341(1) .2817(2) .7850(1) .048(1)
O(2') .0939(1) .4308(2) .7794(1) .061(1)
C(3') .1962(1) .2705(3) .8488(1) .063(1)
C(4') .2391(1) .1234(4) .8613(1) .070(1)
C(5') .2212(1) -.0172(4) .8104(1) .068(1)
C(6') .1586(1) -.0105(3) .7480(1) .055(1)
H(3) .0479(14) .4779(32) .5786(16) .075(2)
H(5) -.1545(13) .1114(33) .4401(16) .075(2)
H(6) -.2046(14) -.1768(31) .4349(16) .075(2)
H(7) -.1555(14) -.3813(33) .5345(15) .075(2)
H(8) -.0545(14) -.3045(34) .6409(16) .075(2)
H(2') .0766(14) .4547(33) .7273(18) .075(2)
H(3') .2079(14) .3788(33) .8834(16) .075(2)
H(4') .2830(14) .1234(30) .9052(16) .075(2)
H(5') .2502(14) -.1217(34) .8167(16) .075(2)
H(6') .1439(14) -.1124(33) .7137(16) .075(2)
_cod_database_code 2004804