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The Crystal Structure of Cantharidin $(C_{10}H_{12}O_{4})$  

김문집 (순천향대학교 물리학과)
박호종 (순천향대학교 물리학과)
김대영 (순천향대학교 화학과)
이종수 (대웅제약 중앙연구소)
Publication Information
Korean Journal of Crystallography / v.13, no.2, 2002 , pp. 91-95 More about this Journal
Abstract
The structure of Cantharidin (Hexahydro-3a,7a-dimethy1-4,7-epoxyisobenzofuran-1,3-dione, C/sub 10/H/sub 12/O/sub 4/)has been determined by X-ray diffraction methods. The crystal system is orthorhombic, space group Pna2/sub 1/, unit cell constants, a＝11.0731(9) (equation omitted), b＝6.7344(4) (equation omitted), c＝12.5000(9) (equation omitted), α＝β＝γ＝90°, V＝932.13(12) (equation omitted), T=296K, Z＝4, D/sub c/＝1.398Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation(λ＝0.71073(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R＝4.42% for 759 unique observed F/sub o/>4σ(F/sub o/) reflections and 140 parameters.
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