Structure of 1,6-anhydro-β-d-glucopyranose in plastic crystal, orientational glass, liquid and ordinary glass forms: molecular modeling and X-ray diffraction studies

Jurkiewicz, K.; Glajcar, W.; Kamiński, K.; Temleitner, L.; Burian, A.

doi:10.1107/S205252062001656X

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
A comparison of the static structure factors S(Q) (a) and the pair distribution functions G(r) (b) obtained from the model-based simulations with the experimental data for the PC phase. In the model LG molecules were rotated by randomly selected Euler angles from the intervals corresponding to half the full ranges of the Euler angles. The insets show low-Q and short-r ranges of S(Q) and G(r), respectively. The model-based simulations are drawn in blue and the experimental data are plotted in red.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 1| February 2021| Pages 138-149

https://doi.org/10.1107/S205252062001656X

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