Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.
Authors of publication
Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.
Journal of publication
Molecular pharmaceutics
Year of publication
2018
Journal volume
15
Journal issue
11
Pages of publication
5349 - 5360
a
5.9874 ± 0.0005 Å
b
16.1056 ± 0.0015 Å
c
23.4443 ± 0.0019 Å
α
90°
β
90.04 ± 0.02°
γ
90°
Cell volume
2260.7 ± 0.3 Å3
Cell temperature
172 ± 2 K
Ambient diffraction temperature
172 ± 2 K
Number of distinct elements
3
Space group number
4
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Residual factor for all reflections
0.0639
Residual factor for significantly intense reflections
0.0476
Weighted residual factors for significantly intense reflections
0.099
Weighted residual factors for all reflections included in the refinement
0.1052
Goodness-of-fit parameter for all reflections included in the refinement
