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Crystal Structure and Molecular Absolute Configuration of (+)-Isocedranol (C_(15)H_(26)O)
引用本文:Liu Jie, Chen Min-Qin(Center of Analysis & Measurement,Fudan University,Shanghai,200433) Ding Zong-Biao, Yao Dan-Shu, Xu Lin-Xiao, Tao Feng-Gang(Chemistry Department,Fudan University,Shanghai,200433). Crystal Structure and Molecular Absolute Configuration of (+)-Isocedranol (C_(15)H_(26)O)[J]. 结构化学, 1994, 0(1)
作者姓名:Liu Jie   Chen Min-Qin(Center of Analysis & Measurement  Fudan University  Shanghai  200433) Ding Zong-Biao   Yao Dan-Shu   Xu Lin-Xiao   Tao Feng-Gang(Chemistry Department  Fudan University  Shanghai  200433)
作者单位:Liu Jie; Chen Min-Qin(Center of Analysis & Measurement,Fudan University,Shanghai,200433) Ding Zong-Biao; Yao Dan-Shu; Xu Lin-Xiao; Tao Feng-Gang(Chemistry Department,Fudan University,Shanghai,200433)
摘    要:
CrystalStructureandMolecularAbsoluteConfigurationof(+)-Isocedranol(C_(15)H_(26)O)¥LiuJie;ChenMin-Qin(CenterofAnalysis&Measurem...


Crystal Structure and Molecular Absolute Configuration of (+)-Isocedranol (C_(15)H_(26)O)
Liu Jie, Chen Min-Qin. Crystal Structure and Molecular Absolute Configuration of (+)-Isocedranol (C_(15)H_(26)O)[J]. Chinese Journal of Structural Chemistry, 1994, 0(1)
Authors:Liu Jie   Chen Min-Qin
Abstract:
The crystal structure and the absolute configuration of (+)Isoce-dranol (C(15)H(26)O), yielded from hydroboration-oxidation of (-)-αcedrene (C(15) H(24)), were determined by X-ray diffraction analysis. The compound crystallized in the trigonal space group P31 with a=b=14. 029(2) A ,c= 5. 987(2) A ,α=β=90°,γ= 120°. V= 1020. 4 A3, Z=3, Dc=1. 086 g/cm ̄3, Mr= 222. 4, F(000) =372 ,μ(MoKα) = 0. 608 cm-1. The structure was solved by the direct methods and refined to the final agreement factors R = 0. 044, Rω= 0. 045. The chiral carbon atoms C(8) and C(9) are 8S, 9S. According to this result, the assumption about the stereochemistry of the hydroboration of (-)-α-cedrene was also confirmed.
Keywords:crystal structure   stereochemistry   absolute configaration   (+)-Isocedranol
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