单晶衍射测试条件对小分子化合物衍射数据的影响  

Influence of working conditions on the single crystal diffraction test of micro-molecular compounds

作　　者：吴冰[1,2] 张勇 李海燕[1,2] 

机构地区：[1]苏州大学分析测试中心,江苏苏州215123 [2]苏州大学材料与化学化工学部,江苏苏州215123

出　　处：《苏州大学学报（自然科学版）》2010年第4期76-79,共4页Journal of Soochow University(Natural Science Edition)

摘　　要：为优化Rigaku Saturn 724单晶衍射仪测定小分子化合物结构的测试条件,本文测定了标准晶体胞嘧啶核苷的衍射数据,比较了曝光时间、晶体与面探测器的距离、样品温度和数据收集方式对于测试结果的影响.结果表明,合适的曝光时间、较低的温度、较小的晶体与探头的距离和以较高对称性收集数据有利于提高小分子化合物衍射数据的质量,解析结果较好.The diffraction test using standard crystal sample（cytidine） was carried out in order to optimize the working conditions of micro-molecular compounds of Rigaku Saturn 724 single-crystal diffractometer.The exposure time,distance between crystal and detector,temperature of sample and space group used in data collecting were discussed.The result shows that the test in moderate exposure time,lower temperature,shorter distance and higher symmetry during data collecting can improve the quality of diffraction data and get better result in solving the structure.

关 键 词：单品衍射 晶体结构 测试条件 

分 类 号：O241.6[理学—计算数学]