摘要
通过X 射线单晶衍射法测定了标题化合物的晶体结构。结果表明 :晶体属正交晶系 ,P2 12 12 1空间群 ,a =8 6 0 10 (3) ,b =13 0 830 (9) ,c =18 1130 (11) ,V =2 0 38 2 0 (2 0 ) 3 ,Z =4 ,Mr =4 18 4 9,Dx =1 36 9g/cm3 ,λ(MoKα) =0 710 73 ,μ(MoKα) =1 12cm-1,F(0 0 0 ) =888。在 0 <2θ <5 0°范围内共收集了 1988个独立衍射点 ,其中可观测衍射点 196 3个 [Ⅰ≥ 8σ(Ⅰ ) ]。晶体结构用直接法解出 ,经全矩阵最小二乘法修正 ,最终偏离因子Rf=0 0 6 2 ,Rw=0 0 5 5。
The crystal structure of the title compound was determined by single crystal X ray diffraction analysis.The crystal belongs to orthorhombic system,space group P2 12 12 1 with unit cell parameters of a =8 6010(3), b =13 0830(9), c =18 1130(11)*!, V =2038 20(20)*! 3, Z =4, Mr =418 49, Dx =1 369 g/cm 3, λ (MoKα)=0 71073 *!, μ (MoKα)=1 12 cm -1 , F (000)=888.The structure was solved by direct method and refined by full matrix least squares method.The final discrepancy factor R f=0 062,R w=0 055 for 1963 unique observed reflections[Ⅰ≥8σ(Ⅰ)].
出处
《天然产物研究与开发》
CAS
CSCD
2003年第1期1-4,共4页
Natural Product Research and Development
基金
ThisresearchissupportedbyNationalScienceFoundationforOut standingYouth(3 0 12 5 0 44 )andthe"FoundationforScholarsComeBackfromAbroad"providedbyMinistryofEducation
MinistryofPersonnel
andChineseAcademyofSciences.
