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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
	Dou Shiqi1; Yao Jia Xing2; Li Zhengming3; Dong Liwen3
刊名	Acta physico-chimica sinica
	1987
卷号	3期号:1页码:74-78
ISSN号	1000-6818
DOI	10.3866/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
出版者	PEKING UNIV PRESS
WOS记录号	WOS:000207569100013
内容类型	期刊论文
URI标识	http://www.corc.org.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
推荐引用方式 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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