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X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2

Published online by Cambridge University Press:  25 August 2020

Zhicheng Zha,
Ting Tang,
Xiaoyan Bian and
Qing WangOpen the ORCID record for Qing Wang[Opens in a new window]
Zhicheng Zha
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
Ting Tang
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
Xiaoyan Bian
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
Qing Wang*
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
*
a)Author to whom correspondence should be addressed. Electronic mail: qingwang@yzu.edu.cn
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Abstract

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.

Keywords

steroidpharmaceutical intermediateX-ray powder diffractioncrystal structure

Information

Type
New Diffraction Data
Information
Powder Diffraction , Volume 35 , Issue 4 , December 2020, pp. 282 - 285
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Copyright
Copyright © 2020 International Centre for Diffraction Data

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