#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000218.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_2000218
loop_
_publ_author_name
'Fitzgerald, L. J.'
'Gallucci, J. C.'
'Gerkin, R. E.'
'Rawal, V. H.'
_publ_section_title
;
 Structure of 4-dibenzofurancarboxaldehyde, C~13~H~8~O~2~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2134
_journal_page_last               2137
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C13 H8 O2'
_chemical_formula_weight         196.21
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.690(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5890(10)
_cell_length_b                   9.784(2)
_cell_length_c                   14.394(2)
_cell_volume                     923.4(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.089
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_F_000             408
_[local]_cod_data_source_file    st0505.cif
_[local]_cod_data_source_block   st0505a
_[local]_cod_cif_authors_sg_H-M  P121/n1
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 .7689(3) .1331(2) .97410(10)
O2 .7432(5) .3132(3) 1.1344(2)
C1 1.2468(5) .2268(4) .8909(2)
C2 1.3188(6) .3245(4) .9543(3)
C3 1.2079(6) .3615(4) 1.0271(3)
C4 1.0178(5) .3043(4) 1.0391(2)
C6 .6121(5) -.0481(4) .8735(2)
C7 .6364(6) -.1279(4) .7961(2)
C8 .8072(5) -.1154(4) .7470(2)
C9 .9591(6) -.0232(4) .7733(2)
C10 .9380(5) .0598(3) .8510(2)
C11 .7654(5) .0440(3) .8984(2)
C12 .9498(5) .2044(3) .9744(2)
C13 1.0599(5) .1643(3) .9011(2)
C14 .9089(7) .3499(4) 1.1180(3)
H1 1.329(4) .200(3) .839(2)
H2 1.454(5) .370(3) .951(2)
H3 1.258(5) .431(3) 1.071(2)
H6 .499(5) -.056(3) .908(2)
H7 .533(5) -.194(3) .778(2)
H8 .816(5) -.173(3) .691(2)
H9 1.075(5) -.011(3) .739(2)
H14 .980(6) .420(4) 1.161(3)
_cod_database_code 2000218