Abstract
The crystal structure of protogenkwanin, C16H14O6, has been determined by single-crystal diffraction methods. The compound crystallizes in the monoclinic space groupP21/c witha=6.804(4),b=7.457(3),c=26.234(3)A,β=95.66(2)° andZ=4. A total of 3275 unique reflection intensities were recorded on a Rigaku AFC6R diffractometer (MoKα radiation) at room temperature. The structure was solved by direct methods and electron density calculations. Full-matrix least-squares refinement gaveR=0.058 for 1257 observed [I>3σ(I)] reflections. Thecrystal structure confirms results from earlier studies on protogenkwanin and elucidates the steric orientation of the hydroxyl substituents of the cyclohexadiene ring: the hydroxyl groups aretrans orientated.
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