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• W2970861569 abstract "Abstract We report 43 Ca and 13 C solid‐state nuclear magnetic resonance (NMR) spectroscopic studies of the ethylene glycol solvate of atorvastatin calcium. The 13 C and 43 Ca chemical shift and 43 Ca quadrupolar coupling tensor parameters are reported. The results are interpreted in terms of the reported X‐ray diffraction crystal structure of the solvate and are compared with the NMR parameters of atorvastatin calcium trihydrate, the active pharmaceutical ingredient in Lipitor®. Hartree–Fock and density functional theory calculations of the NMR parameters based on a cluster model derived from the optimized X‐ray diffraction crystal structure of the ethylene glycol solvate of atorvastatin calcium are in reasonable agreement with the experimental 43 Ca and 13 C NMR measurables." @default.
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• W2970861569 date "2019-10-18" @default.
• W2970861569 modified "2023-09-26" @default.
• W2970861569 title "High-resolution ¹³ C and ⁴³ Ca solid-state NMR and computational studies of the ethylene glycol solvate of atorvastatin calcium" @default.
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• W2970861569 doi "https://doi.org/10.1002/mrc.4937" @default.
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