#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000398.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_2000398
loop_
_publ_author_name
'Mac\'ias, F. A.'
'Zub\'ia, E.'
'Quijano, L.'
'Fronczek, F. R.'
'Fischer, N. H.'
_publ_section_title
;
 Structures of three tetrahydrofurofurane-type lignanes
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2240
_journal_page_last               2244
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H18 O6'
_chemical_formula_weight         354.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.687(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6127(10)
_cell_length_b                   5.6194(4)
_cell_length_c                   15.660(2)
_cell_volume                     821.9(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.84
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_F_000             372
_[local]_cod_data_source_file    hh0597.cif
_[local]_cod_data_source_block   hh0597c
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 .1474(2) .0411(4) .63060(10)
C2 .2415(2) .0043(4) .72390(10)
O3 .38490(10) .0 .71252(7)
C4 .3776(2) -.1360(4) .63440(10)
C5 .2406(2) -.0538(4) .56975(9)
C6 .2603(2) .1636(4) .51539(9)
O7 .13940(10) .3116(3) .51445(7)
C8 .1187(2) .2993(5) .60170(10)
C9 .2264(2) .1866(4) .79140(10)
C10 .3353(2) .3505(4) .82470(10)
C11 .3117(2) .5105(4) .88590(10)
C12 .1860(2) .5142(5) .91380(10)
C13 .0783(2) .3559(6) .88210(10)
C14 .1004(2) .1926(6) .82030(10)
O15 .4027(2) .6846(4) .92841(9)
C16 .3278(2) .8020(6) .98480(10)
O17 .1930(2) .6912(4) .97593(9)
C18 .2719(2) .1183(4) .42220(10)
C19 .2246(2) .2923(4) .35790(10)
C20 .2433(2) .2465(4) .27510(10)
C21 .3045(2) .0389(4) .25510(10)
C22 .3519(2) -.1326(4) .31580(10)
C23 .3347(2) -.0891(4) .40120(10)
O24 .2061(2) .3871(4) .20155(8)
C25 .2683(3) .2759(6) .13790(10)
O26 .3069(2) .0385(4) .16724(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.540(2)
C1 C5 1.549(3)
C1 C8 1.526(4)
C2 O3 1.431(2)
O3 C4 1.430(2)
C4 C5 1.530(2)
C5 C6 1.527(3)
C6 O7 1.426(2)
O7 C8 1.429(2)
_cod_database_code 2000398