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摘要: 苦玄参环氧甙元(Ⅰ)为植物苦玄参(Picria Fel-Tarrae Lour)有效成份苦玄参甙元(Ⅰ)(Picfeltarragenin)的环氧化合物。属正交晶系,空间群D24-P(212121),晶胞参数a=28.373(9)?,b=10.667(5)?,c=9.115(4)?,晶胞内分子数z=4。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点2890个。用直接法(MULTAN-78)测定晶体结构。结构参数的修正采用准对角矩阵最小二乘法,R=0.084。由差值Fourier综合获得氢原子位置。苦玄参环氧甙元(Ⅰ)分子间的最短距离为3.5?。
Abstract: Single crystals of picriafeltarragenin epoxy compound, C30H44O6, belong to space group P(212121) with lattice parameters a =28.373 (9)?, b=10.667 (5)?, c = 9.115 (4)? and 4 molecules in the unit cell. The intensities of 2890 independent reflectionsau collected using the PW-1100 fourcircle diffractometer. The structure was solved with MULTAN 78 program and refined to a final R = 0.084 by block diagonal least square method. Positions of all the hydrogen atoms were obtained from the difference Fourier synthesis. The shortest distance between two molecules is 3.5?.
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