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摘要: 利用Patterson和Fourier法测定了生物碱钩吻素溴氢酸盐(C20H22N2O·HBr)的晶体结构,经全矩阵最小二乘法修正,偏离因子R=0.067,晶体属正交晶系;晶胞参数为α=14.307?,b=12.053?,c=9.862?;晶胞中分子数z=4;空间群为D24-P21 21 21,在非氢原子的坐标和各向异性热运动参数的
Abstract: The crystal structure of alkaloide, koumine Hydrobromide (C20H22N2O·HBr), has been solved by Patterson and Fourier methods and refined to an R value of 0.067 by full-matrix least-square method. The crystal belongs to orthorhombic system with the unit cell parameters: a = 14.307?, b = 12.053?, c = 9.862?; and four molecules are contained in the cell. The space group is P21 21 21. The positions of all hydrogen acoms have been found from a difference Fourier map calculated after the refinement of co-ordinates of all non-hydrogen atoms with anisotropic thermal parameters by least-squares method. The absolute configuration of the molecule has been established. The structural characteristics of the molecule were discussed.