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X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2
Powder Diffraction ( IF 0.3 ) Pub Date : 2020-08-25 , DOI: 10.1017/s0885715620000512
Zhicheng Zha , Ting Tang , Xiaoyan Bian , Qing Wang

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2, are reported [a = 9.236(7) Å, b = 10.294(4) Å, c = 15.471(1) Å, unit cell volume V = 1471.11 Å3, Z = 4, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single-crystallographic data of the compound are also reported [a = 9.2392(7) Å, b = 10.2793(5) Å, c = 15.4822(7) Å, unit cell volume V = 1470.37(15) Å3, Z = 4, and space group P212121]. Both single-crystal and powder diffraction methods can get the similar structure data.

中文翻译:

estra-4,9-diene-3,17-dione, C18H22O2 的 X 射线粉末衍射数据

estra-4,9-diene-3,17-dione, C 的 X 射线粉末衍射数据18H222, 被报告 [一种= 9.236(7)埃,b= 10.294(4) 埃,C= 15.471(1) Å,晶胞体积= 1471.11 埃3,Z= 4,和空间群212121]。所有测量线均已编入索引并与212121空间群。没有观察到可检测的杂质。该化合物的单晶数据也被报道[一种= 9.2392(7) 埃,b= 10.2793(5) 埃,C= 15.4822(7) Å,晶胞体积= 1470.37(15) Å3,Z= 4,和空间群212121]。单晶和粉末衍射方法都可以得到相似的结构数据。
更新日期:2020-08-25
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