Crystal　Structure　and　Molecular　Absolute　Configuration　of　（＋）－Isocedranol　（C_（15）H_（26）O）  

作　　者：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) 

出　　处：《Chinese Journal of Structural Chemistry》1994年第1期28-32,共5页结构化学（英文）

摘　　要：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.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.

关 键 词：crystal structure STEREOCHEMISTRY absolute configaration (+)-Isocedranol 

分 类 号：O624.3[理学—有机化学] O76[理学—化学]