What is it about?

Quininium (R)-mandelate is an organic salt with an incommensurately modulated structure at room temperature. The large number of first- and second-order satellite reflections with relatively strong intensities indicates a significant modulation, because of which no average structure solution could be obtained. Hence the structure solution was performed in two suitable superstructure approximations.

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Why is it important?

Positional modulation functions and modulation functions for the anisotropic atomic displacement parameters were introduced. The modulation originates from a competition between intramolecular and intermolecular forces, which is reflected, in the superspace formalism, in the modification of hydrogen bonds along the internal space variable t.

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This page is a summary of: Quininium (R)-mandelate, a structure with large Z′ described as an incommensurately modulated structure in (3+1)-dimensional superspace, Acta Crystallographica Section B Structural Science, January 2004, International Union of Crystallography, DOI: 10.1107/s0108768103027605.
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