data_2000455
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2009
_journal_page_last  2013
loop_
_publ_author_name
 'Larsen, I.K.'
 'Andersen, L.A.'
 'Pedersen, B.F.'
_chemical_formula_sum  'C15 H14 O3'
_chemical_formula_weight  242.26
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  5.9600(10)
_cell_length_b  9.569(2)
_cell_length_c  10.679(2)
_cell_angle_alpha  96.82(2)
_cell_angle_beta  98.32(2)
_cell_angle_gamma  90.32(2)
_cell_volume  598.2(3)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.345
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  256
_exptl_absorpt_coefficient_mu  0.087
_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 .8997(2) .13160(10)
       .07430(10)
 O2 .7028(2) .00040(10)
       -.15140(10)
 O4 .0799(2) .29300(10)
       -.12140(10)
 C1 .7166(3) .1761(2) .0297(2)
 C2 .5947(3) .1068(2) -.0928(2)
 C3 .3854(3) .1420(2) -.1435(2)
 C4 .2701(3) .2589(2) -.0773(2)
 C5 .2883(3) .4475(2) .1083(2)
 C6 .4027(3) .5212(2) .2186(2)
 C7 .6195(3) .4839(2) .2671(2)
 C8 .7225(3) .3709(2) .2062(2)
 C9 .6082(3) .2970(2) .0947(2)
 C1O .3908(3) .3357(2) .0445(2)
 C11 .2654(3) .0663(2) -.2671(2)
 C12 .3323(3) .1249(2) -.3820(2)
 C13 .2010(3) .1929(2) -.4650(2)
 C14 -.0430(3) .2250(2) -.4581(2)
 C15 .2910(3) .2422(2) -.5777(2)
 H2 .830(3) -.016(2) -.103(2)
 H5 .137(3) .473(2) .074(2)
 H6 .328(3) .602(2) .262(2)
 H7 .703(3) .535(2) .344(2)
 H8 .867(3) .342(2) .238(2)
 H12 .490(3) .110(2) -.394(2)
 H111 .307(3) -.037(2) -.269(2)
 H112 .105(3) .071(2) -.267(2)
 H141 -.103(3) .205(2) -.379(2)
 H142 -.142(3) .175(2) -.529(2)
 H143 -.071(3) .324(2) -.470(2)
 H151 .203(3) .197(2) -.662(2)
 H152 .460(3) .221(2) -.579(2)
 H153 .276(3) .345(2) -.575(2)