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The crystal structure and absolute configuration of (+)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol of diastercoisomer a

文献类型:期刊论文

作者Dou Shiqi1; Yao Jia Xing2; Li Zhengming3; Dong Liwen3
刊名Acta physico-chimica sinica
出版日期1987
卷号3期号:1页码:74-78
ISSN号1000-6818
DOI10.3866/pku.whxb19870113
通讯作者Dou shiqi()
英文摘要The crystal of (+) a triadimenol (baylan) belongs to monoclinic system with space group c-3(2)-p2(1) and cell totrameters; a = 10.543(1) angstrom, b=8.202(1) angstrom, c = 9.778(1) angstrom, beta = 113.042(7)degrees. there are two molecules in each unit cell, z=2. the x-ray diffraction data were collected on pw-1100 four-circle diffractometer, with cuka radition. the number of independent diffraction data amounts to 1610, of which 1524 are observable reflections. the crystal structure has been determined by direct method (rantan) and refitted hy full-matrix least-square method to r=0.065. the absolute configuration has been assigned by direct measurement of 18 enantiomer sensitive bijvoet reflection pairs. x-ray structure analysis shows that absolute configuration of (+)-a triadimenol is 1r,2s the triazole ring has an aromatic property.
WOS研究方向Chemistry
WOS类目Chemistry, Physical
语种英语
WOS记录号WOS:000207569100013
出版者PEKING UNIV PRESS
URI标识http://www.irgrid.ac.cn/handle/1471x/2373730
专题物理研究所
通讯作者Dou Shiqi
作者单位1.Acad Sinica, Inst Biophys, Beijing 100080, Peoples R China
2.Acad Sinica, Inst Phys, Beijing 100080, Peoples R China
3.Nankai Univ, Inst Elemento Organ Chem, Tianjin 300071, Peoples R China
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GB/T 7714
Dou Shiqi,Yao Jia Xing,Li Zhengming,et al. The crystal structure and absolute configuration of (+)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol of diastercoisomer a[J]. Acta physico-chimica sinica,1987,3(1):74-78.
APA Dou Shiqi,Yao Jia Xing,Li Zhengming,&Dong Liwen.(1987).The crystal structure and absolute configuration of (+)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol of diastercoisomer a.Acta physico-chimica sinica,3(1),74-78.
MLA Dou Shiqi,et al."The crystal structure and absolute configuration of (+)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol of diastercoisomer a".Acta physico-chimica sinica 3.1(1987):74-78.

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