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) (equati...
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.
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.
참고문헌 (8)
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G. M. Sheldrick, 'SHELXL-97', Program for the refinement of crystal structures, Univ. of Gottinggen, Germany (1997)
L. J. Farrugia, J. Appl. Cryst., 32, 837-838 (1999)
International Tables For X-Ray Crystallography, Vol. III, Kynoch Press Birmingham, England (1986)
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