延胡索乙素的晶体及分子结构

本文报导用直接法测定延胡索乙素游离碱的晶体结构。晶体所属的空间群为P2_12_12_1,每个单胞中含有四个分子,晶胞参数为a=22.296,b=11.795,c=7·452。用块对角矩阵最小二乘方对全部非氢原子坐标及其各向异性温度因子,对氢原子坐标及其各向同性温度因子进行修正,最后R因子为0.045。本文对于分子的某些结构特征作了讨论。

The Crystal Structure and Absolute Molecular Configuration of Corydalis B

The crystal structure of corydalis B (C21H25O4N·H2O) has been solved by direct methods. The diffracted intensities have been collected on a PW 1100 four-circle diffractometer. The crystal belongs to the orthorhombic system with the unit cell parameters a= 22.296, b=11.795, c=7,452A and there are four molecules per unit cell. The space group is P212121. The final R-factor is 0.045, after anisotropic as well as isotropic refinements of all the non-hydrogen atoms. The structural characteristics of the molecule is discussed.