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氯代通关素分子式为C23H33O5Cl。结晶属单斜晶系,空间群为C22P21,晶胞参数a=15.782(7)?,b=8.454(4)?,c=8.074(4)?,β=101.08(21)°,晶胞内分子数z=2。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点为2097个。用直接法(MULTAN-78)测定晶体结构,结构参数的修正采用准对角矩阵最小二乘法,R为0.075。由差值Fourier图获得氢原子位置,两个甲基上的氢原子则呈现位置无序性质。氯代通关素分子保持了通关素分子的构象特征,B环与C环,C环与D环明显地呈现顺式联结。The molecular formula of chloro-tenaciss igenin is C23H33O5Cl. The crystal belongs to monoclinic system. The space group is C22P21. The parameters of unit cell are a=15.782(7)?, 6 = 8.454(4)?, c = 8.074(4)? and β= 101.08(21)°. There are two molecules in an unit cell (Z = 2). Intensity data were collected on a PW-1100 four-circle diffractometer. The total number of independent diffractions amounts to 2097.The structure was solved by direct method (MULTAN 78). The refinement of the structure parameters was acheived by block-matrix least-square method, R=0.075. All the positions of hydrogen atoms were located by the difference Fourier syntheses and two of them, which are in the methyls, present disorder property.The chloro-tenaciss igenin molecule contained the conformation characteristic of tenaciss igenin. B-ring and C-ring, and C-ring and D-ring all exhibit cisforms obviously.
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