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密环菌甲素晶体结构研究

贺存恒 徐常富 鲍光宏 穆善田

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密环菌甲素晶体结构研究

贺存恒, 徐常富, 鲍光宏, 穆善田

THE CRYSTAL STRUCTURE OF ARMILLARINE

HE CUN-HENG, XU CHANG-FU, BAO GUANG-HONG, MU SHAN-TIAN
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  • 密环菌甲素(C24H30O6)属正交晶系,空间群为P21 21 21,晶胞参数为a=18.784(9)?,b=14.002(7)?,c=8.598(5)?,z=4,计算密度Dc=1.216g·cm-1。使用菲利浦PW-1100四圆衍射仪收集衍射强度。该结构是在MULTAN-78求解失败以后,使用MULTAN-80,在正切修正时选择统
    The Armillarine (C24H30O6) crystal belongs to the orthorhomcic system with space group P21 21 21 and unit cell parameter α= 18.784(9)?, b = 14.002(7)?, c = 8.598(5)?, z= 4. The calculated density Dc= 1.216 g· cm-3.The intensity data were collected on the Philips PW-1100 diffractometer. The structure was determined by MULTAN-80 with the statistically weighted tangent formula after MULTAN-78 had been proved unsuccessful. The structure has been refined by full-matrix least-squares method to a final R value of 0.076 for 1624 reflexions. The hydrogen atom locations were determined by difference Fourier synthesis.
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出版历程
  • 收稿日期:  1981-09-22
  • 刊出日期:  1982-03-05

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