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The crystal structure of gessypol acetic acid (C_(30)H_(30)O_8-CH_3COOH) has been determinedby X-ray diffraction method. The crystals are triclinic with space group P1, unit cell dimen-sions: a=14.278(7)A, b=6.924(5)A, c=14.706(6)A, α=91.90(5)°, β=92.34(3)°, γ=98.71(5)°, Z=2. The structure has been solved by direct methods and refined by full-matrixleast-squares to a final conventional R=0.063 for observed reflexions. The crystal structureshows that the gossypol acetic acid is a complex which consists of one gossypol molecule andone acetic acid molecule through hydrogen bonding. However, there are no additional hydro-gen bonds between these complexes. The crystal structure is stabilized by Van der Waalsinteractions only. 相似文献
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Kanglemeisu A (C_(50)H_(63)O_(19)N·CH_3OH) is the product of an actinomyces species from a soil sample gathered in China. Kanglemeisu A belongs to the triclinic system, space group P_1,unit cell:a=12.760(3), b=10.287(2), c=9.926(2) , α=88.39(2),β=78.64(2), γ=89.14(2). RANTAN direct method is used to solve the structure.The final discrepancy factor is R=0.0689, after atom coordinates and temperature factors have been refined with full matrix least squares.The structure skeleton consists of four parts, the naphthalene nucleus connected to the 5-membered ring, a 17-membered ring connected to C_2, a dimethyl butane diacid extended out from C_(20), β-D-3,4-OO' methylenedigitoxose passing through an oxygen bridge O_6 and linked to C_(27) of ansa ring. 相似文献
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康乐霉素A(C_(50)H_(63)O_(19)N·CH_3OH)是从我国土壤样品中分离出来的放射线菌的代谢产物。康乐霉素A晶体属三斜晶系,空间群P_1,晶胞参数:α=12.760(3),b=10.287(2),c=9.926(2),α=88.39(2~0),β=78.64(2~0),γ=89.14(2~0)。用RANTAN直接法解出结构,原子坐标和温度因子经全矩阵最小二乘法修正后,最终偏离因子R=0.0689,结构骨架由四部分组成,一个五元环和萘核连结,一个十七元冠状环接到萘核的C_3和五元环的C_(12)上,从冠状环的C_(20)上伸出一个二甲基丁二酸,β-D-3,4-OO′甲叉毛地黄毒糖经过一个氧桥O_6接到冠状环的C_(27)上。 相似文献
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题目化合物(C22H18O2ClBr)为单斜晶系,空间群为(P21)/n,晶胞参数a=19.502(10)?,b=9.118(5)?,c=11.233(6)?;β=88.18(1)°。结构由MULTAN-80确定。首先在E图上确定了溴原子位置,由加权傅里叶综合定出了其余26个非氢原子坐标。原子坐标按各向同性和各向异性温度因子各修正两轮后,计算差值电子密度图,从差值图上找出了全部氢原子。氢原子坐标按各向同性和非氢原子按各
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