Acta Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS
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Acta Cryst.
(2002).
B
58
,
835-840
https://doi.org/10.1107/S0108768102011370
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The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base
H. Nowell
,
J. P. Attfield
and
J. C. Cole
The crystal structure determination of tryptamine free base from powder X-ray diffraction data is described, including an investigation into the effect of the weight of restraints during Rietveld refinement.
Keywords:
biogenic compounds
;
tryptamine
;
restrained Rietveld refinement
;
hydrogen bonding
.
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