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用SYNTEX R_3型四圆衍射仪收集了牛晶V的三维衍射数据,晶体空间群为P2_1/c;a=9.620(6),b=14.660(8),c=10.709(6),β=101.12°;Z=4。分子式为C_(16)H_(14)O_6·H_2O。利用直接法和差值Fourier法解出了晶体结构。经位置坐标参教,各向异性温度因子和比例因子,块矩阵最小二乘修正,R值为0.0522。 结构分析表明,苯环处在分子的中心位置,苯环两侧是两个六员杂环。除个别原子外,大部分非氢原子都处在同一个平面上。分子内存在着一个较大的共轭体系。所有的极性基团都分布在分子的外侧,这种结构可能与抗癌机理有密切的关系。
The three-dimensional diffraction data of bovine crystal V was collected with a SYNTEX R_3 four-circle diffractometer. The crystal space group P2_1 / c; a = 9.620 (6), b = 14.660 (8), c = 10.709 °; Z = 4. The molecular formula is C_ (16) H_ (14) O_6 · H_2O. The crystal structure was solved by direct method and difference Fourier method. According to the location coordinates, anisotropic temperature factor and scale factor, block matrix least square correction, R value of 0.0522. Structural analysis shows that the benzene ring is at the center of the molecule and two six-membered rings are on both sides of the benzene ring. With the exception of individual atoms, most of the non-hydrogen atoms are in the same plane. There is a larger conjugate system in the molecule. All polar groups are distributed outside the molecule, this structure may be closely related with anti-cancer mechanism.