Ab initio structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction

Derollez, P.; Correia, N.T.; Danède, F.; Capet, F.; Affouard, F.; Lefebvre, J.; Descamps, M.

doi:10.1107/S010876810500546X

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

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Figure 4
(a) Perspective drawing of the unit cell along the [100] direction. The molecules are nearly parallel to the hexagonal plane. (b) Perspective drawing of half a cell along the [001] direction showing the three preferential orientations of the molecule on each site.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 61| Part 3| May 2005| Pages 329-334

doi:10.1107/S010876810500546X

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