论文部分内容阅读
关附庚素是从毛茛科植物黄花乌头块根中分得的一种生物碱。关附庚素碘甲烷盐的晶体属正交晶系;空间群为D_2~4-P2_12_12_1;晶胞中含四个分子;晶胞参数a=16.87A,b=16.93A,c=10.09A。强度数据用PW1100四圆衍射仪收集,采用MoK_a辐射。晶体结构用重原子法导出;碘原子由Patterson法求得;其它卅五个非氢原子的坐标由三维Fourier综合确定。结构用块对角矩阵进行最小二乘修正,然后加卅六个氢原子位置又修正了一轮,最后的R因子为0.0578,并根据反常散射确定绝对构型。
Guan attached heptan is a kind of alkaloid obtained from the roots of Ranunculaceae plants. The crystal of the crystal of iodine methane is an orthorhombic crystal. The space group is D_2 ~ 4-P2_12_12_1. The unit cell contains four molecules. The unit cell parameters a = 16.87A, b = 16.93A, c = 10.09A. Intensity data were collected using a PW1100 four-circular diffractometer using MoK_a radiation. The crystal structure was deduced by the heavy atom method. The iodine atoms were calculated by the method of Patterson. The coordinates of the other five non-hydrogen atoms were determined by the three-dimensional Fourier synthesis. The structure was corrected for least square using a block diagonal matrix, followed by one more round of six hydrogen positions plus a final R factor of 0.0578 and an absolute configuration based on anomalous scattering.