title: [The crystal structure of triptophenolide revisited].
abstract: Triptophenolide, C20H24O3, has been assigned two isomeric structures. DF Yu et al reported the X-ray analytical structure II in 1990. In 1982, however, FX Deng et al had already reported the spectrometric assignment of structure I. Now, we report again the single crystal analysis of triptophenolide (I). The crystal belongs to space group P2(1)2(1)2(1) of orthorhombic system, with a = 7.270(6), b = 12.509(8), c = 36.20(1) A, Z = 8. The structure was solved by direct method and refined by the full-matrix least-square method to a final R factor 0.055, based on 2322 intensities with I > or = 3 sigma (I). It is highly probable that the result of DF Yu was in error with only 1292 available intensities.
authors.affiliation: Fujian Institute of Research on the Structure of Matter, Academia Sinica, Fuzhou.
authors.forename: Y Z
authors.initials: YZ
authors.lastname: Chen
authors.forename: X Y
authors.initials: XY
authors.lastname: Huang
authors.forename: Q J
authors.initials: QJ
authors.lastname: Wu
authors.forename: F X
authors.initials: FX
authors.lastname: Deng
mesh_terms: D003461:Crystallography; D004224:Diterpenes / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure
chemical_list: D004224:Diterpenes; C035061:triptophenolide