data_2000218
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2134
_journal_page_last  2137
loop_
_publ_author_name
 'Fitzgerald, L.J.'
 'Gallucci, J.C.'
 'Gerkin, R.E.'
 'Rawal, V.H.'
_chemical_formula_sum  'C13 H8 O2'
_chemical_formula_weight  196.21
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P121/n1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  6.5890(10)
_cell_length_b  9.784(2)
_cell_length_c  14.394(2)
_cell_angle_alpha  90
_cell_angle_beta  95.690(10)
_cell_angle_gamma  90
_cell_volume  923.4(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.41
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  408
_exptl_absorpt_coefficient_mu  0.089
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
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)