#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/10/2001069.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001069
loop_
_publ_author_name
'Wallet, J. C.'
'Gaydou, E. M.'
'Tinant, B.'
'Declercq, J.-P.'
'Baldy, A.'
_publ_section_title
;
 5-Methoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one
 (2,5'-dimethoxyflavone)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              376
_journal_page_last               377
_journal_paper_doi               10.1107/S0108270191008557
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H14 O4'
_chemical_formula_weight         282.30
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4020(10)
_cell_length_b                   12.466(2)
_cell_length_c                   14.619(2)
_cell_volume                     1338.2(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.834
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_F_000             592
_cod_data_source_file            ha0073.cif
_cod_data_source_block           ha0073a
_cod_database_code               2001069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 .3793(2) .07890(10) .08930(10)
C2 .4861(3) .1490(2) .04910(10)
C3 .6680(3) .1449(2) .06860(10)
C4 .7621(3) .0691(2) .13270(10)
C5 .7042(3) -.0842(2) .24170(10)
C6 .5817(4) -.1550(2) .2726(2)
C7 .3972(4) -.1457(2) .2423(2)
C8 .3302(3) -.0660(2) .1824(2)
C9 .4555(3) .0024(2) .15000(10)
C10 .6417(3) -.0043(2) .17620(10)
O11 .8843(2) -.08470(10) .27180(10)
C12 .9487(4) -.1565(3) .3446(2)
O13 .6203(3) .3383(2) -.02680(10)
C14 .6989(5) .4265(3) -.0698(3)
O15 .9287(2) .0688(2) .14780(10)
C1' .3728(3) .2207(2) -.01490(10)
C2' .4433(4) .3128(2) -.0538(2)
C3' .3297(5) .3744(2) -.1164(2)
C4' .1492(4) .3479(2) -.1395(2)
C5' .0785(4) .2597(2) -.1000(2)
C6' .1891(4) .1967(2) -.0386(2)
H3 .749(4) .191(3) .043(2)
H6 .626(4) -.212(3) .320(2)
H7 .314(4) -.193(3) .267(2)
H8 .209(4) -.053(3) .165(2)
H3' .375(4) .432(3) -.143(2)
H4' .074(4) .394(3) -.185(2)
H5' -.058(4) .240(2) -.113(2)
H6' .144(4) .129(3) -.010(2)
H12A .927(4) -.228(3) .325(2)
H12B .879(4) -.149(2) .400(2)
H12C 1.077(5) -.136(2) .354(2)
H14A .684(4) .404(2) -.141(2)
H14B .621(4) .495(3) -.059(2)
H14C .849(4) .432(3) -.036(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C2 O1 1.360(3)
C9 O1 1.374(2)
C3 C2 1.341(3)
C1' C2 1.477(3)
C4 C3 1.447(3)
C10 C4 1.476(3)
O15 C4 1.225(3)
C6 C5 1.382(3)
C10 C5 1.417(3)
O11 C5 1.351(3)
C7 C6 1.387(4)
C8 C7 1.375(3)
C9 C8 1.387(3)
C10 C9 1.386(3)
C12 O11 1.426(3)
C14 O13 1.426(3)
C2' O13 1.357(3)
C2' C1' 1.410(3)
C6' C1' 1.392(3)
C3' C2' 1.393(3)
C4' C3' 1.377(4)
C5' C4' 1.375(4)
C6' C5' 1.381(3)
H3 C3 0.94(3)
H6 C6 1.01(3)
H7 C7 0.96(3)
H8 C8 0.91(3)
H12A C12 0.95(3)
H12B C12 1.02(3)
H12C C12 0.98(3)
H14A C14 1.07(3)
H14B C14 1.06(3)
H14C C14 1.16(3)
H3' C3' 0.90(3)
H4' C4' 0.99(3)
H5' C5' 1.03(3)
H6' C6' 1.02(3)
