Crystal Structure of 17α-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory

Crystal Structure of 17α-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory

The crystal structure of 17α-dihydroequilin has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. 17α-dihydroequilin crystallizes in space group P212121 (#19) with a = 6.76849(1) Å, b = 8.96849(1) Å, c = 23.39031(5) Å, V = 141...

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Bibliographic Details
Main Authors: James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton
Format: Article
Language:English
Published: MDPI AG 2017-07-01
Series:Crystals
Subjects:
dihydroequilin
powder diffraction
Rietveld refinement
density functional theory
Online Access:https://www.mdpi.com/2073-4352/7/7/218

Internet

https://www.mdpi.com/2073-4352/7/7/218

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