[雷公藤甲素的晶体结构再探]

[The crystal structure of triptophenolide revisited].

作者信息

Chen Y Z, Huang X Y, Wu Q J, Deng F X

机构信息

Fujian Institute of Research on the Structure of Matter, Academia Sinica, Fuzhou.

出版信息

Yao Xue Xue Bao. 1992;27(11):867-70.

PMID:1300033

Abstract

Triptophenolide, C20H24O3, has been assigned two isomeric structures. DF Yu et al reported the X-ray analytical structure II in 1990. In 1982, however, FX Deng et al had already reported the spectrometric assignment of structure I. Now, we report again the single crystal analysis of triptophenolide (I). The crystal belongs to space group P2(1)2(1)2(1) of orthorhombic system, with a = 7.270(6), b = 12.509(8), c = 36.20(1) A, Z = 8. The structure was solved by direct method and refined by the full-matrix least-square method to a final R factor 0.055, based on 2322 intensities with I > or = 3 sigma (I). It is highly probable that the result of DF Yu was in error with only 1292 available intensities.

摘要

雷公藤酚内酯（C20H24O3）有两种同分异构体结构。DF Yu等人于1990年报道了其X射线分析结构II。然而，1982年FX Deng等人就已经报道了结构I的光谱测定。现在，我们再次报道雷公藤酚内酯（I）的单晶分析。该晶体属于正交晶系的空间群P2(1)2(1)2(1)，a = 7.270(6)，b = 12.509(8)，c = 36.20(1) Å，Z = 8。结构通过直接法解析，并采用全矩阵最小二乘法精修，基于2322个I≥3σ（I）的强度，最终R因子为0.055。DF Yu的结果很可能有误，当时仅有1292个可用强度。