Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate

Streek, J. van de

doi:10.1107/S0108270112035536

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 4
Rietveld refinements with (a) the model as published (monohydrate) and (b) with two water molecules added to give a trihydrate. Both models were fully refined using the same software with the same settings. On the y axis, the square root of the number of counts is plotted to emphasize small features in the difference curve. Note the substantial improvement caused by the addition of just two O atoms, representing 16 electrons, to a compound with the formula C₃₈H₆₉NO₁₃·H₂O, representing 418 electrons.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 68| Part 9| August 2012| Pages o369-o372

doi:10.1107/S0108270112035536

Follow Acta Cryst. C

Search term		doi		Advanced search
Author		volume	page