The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base

Nowell, H.; Attfield, J.P.; Cole, J.C.

doi:10.1107/S0108768102011370

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

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Figure 5
(a) The overlay of the structure refined using f = 0 (dashed lines) with that refined using f = 65 (solid lines). (b) The overlay of the structure refined using f = 65 (solid lines) with that refined using f = 1000 (dashed lines). This is the view along the b axis.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 58| Part 5| September 2002| Pages 835-840

doi:10.1107/S0108768102011370

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