Crystal structure of atorvastatin calcium trihydrate Form I (Lipitor®), (C33H34FN2O5)2Ca(H2O)3

The crystal structure of atorvastatin calcium trihydrate (ACT) has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. ACT crystallizes in space group P1 (#1) with a = 5.44731(4), b = 9.88858(16), c = 29.5925(10) Å, α = 95...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Powder diffraction 2020-06, Vol.35 (2), p.136-143
Hauptverfasser:	Hodge, Ryan L., Kaduk, James A., Gindhart, Amy M., Blanton, Thomas N.
Format:	Artikel
Sprache:	eng ; jpn
Schlagworte:	Anions Calcium Coordination Crystal structure Density functional theory Diffraction patterns Geometry Hydrogen bonds Hydrophilicity Hydroxyl groups Laboratories Linux New Diffraction Data Optimization Synchrotron radiation Water chemistry X ray powder diffraction
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!