通关藤晶Ⅰ的分子结构、晶体结构与绝对构型

通关藤晶Ⅰ(通关素)的分子式为C₂₁H₃₂O₅,属单斜晶系,空间群C₂²—P2₁,α=10.437?,b=12.467?,c=7.548?,β=109°57′,晶胞内分子数Z=2.用PW-1100四圆衍射仪收集强度数据,独立衍射点为1770个。以直接法测定晶Ⅰ结构。以最小二乘法修正结构参数,R=0.098。晶Ⅰ为甾醇化台物。B环与C环,C环与D环均呈顺式联结。晶Ⅰ分子间存在着 关键词：

MOLECULAR STRUCTURE, CRYSTAL STRUCTURE AND ABSOLUTE CONFIGURATION OF TENACISS IGENIN

The crystal of Tenaciss igenin with component C₂₁H₃₂O₅ belongs to mono-clinic system. The space group is C₂²—P2₁. The crystal parameters are as follows: α=10.437?,b=12.467?,c=7.548?,β=109°57′, and of molecules number in an unit cell Z=2. The diffraction data were collected using pw-1100 four-circle diffractometer, the number of independent diffraction data amounts to 1770. The crystal structure was determined by direct method. Refinement of structure parameters was acheived by least-squares method, R= 0.098.The tenaciss igenin is steroid. B-ring and C-ring, C-ring and D-ring all exhibit cisforms. Between the molecules there exist bi-orientation hydrogen-bonds.
Keywords：