| 冬凌草甲素乙酰衍生物的晶体结构 |
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| 引用本文： | 陈元柱,林玉娟,张覃沐,李继成.冬凌草甲素乙酰衍生物的晶体结构[J].结构化学,1983(1). |
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| 作者姓名： | 陈元柱 林玉娟 张覃沐 李继成 |
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| 作者单位： | 中国科学院福建物质结构研究所
(陈元柱，林玉娟)，河南省医学科学研究所
(张覃沐)，河南省医学科学研究所(李继成) |
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| 摘 要： | 冬凌草甲素是从抗癌中草药冬凌草中提取的一种有效成分。它的乙酰衍生物的晶体结构和分子结构已由X—射线衍射法中直接法解出,R因子被修正到0.067。其晶体属单斜晶系,空问群为P2_1,晶胞参数是:a=8.923(3),b=6.551(2),c=20.102(3),β=99.77(2)°晶胞中含有两个C_(22)H_(30)O_7分子和两个乙醇(溶剂)分子。 晶体结构分析表明,分子中含有部分共轭的α—亚甲基环戊酮的五员环。其内角均分别地远小于各自碳原子SP~2或SP~3杂化所要求的数值,而含有较大的内应力。
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The Crystal Structure of Rubescensine-A Acetylate Derivative |
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| Abstract: | The Rubescensine-A acetylate derivative is a kind of anti-cancer drug extracted from Rabdosia Rubescens Hemsi ( a Chinese herb). Its crystal and molecular structure has been solved by means of direct method and refined to a final R factor of 0.067.The crystal belongs to the monoclinic system with its space group P21 and the following cell dimensions: a=8.923(3) b=6.551(2) c=20.102(2)A β=99.77(2)°. Each unit cell contains two C22H30O7 molecules and two solvent molecules (ethanol).The structural analysis of the crystal reveals that in the molecule the interior angles of the partly conjugated α-methylene-cyclopentanone 5-membered ring are much smaller than the normalvalues of sp2 or sp3 hybrids of the relevant carbon atoms, therebyleading to an increase of the internal stress. |
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