Acta Crystallographica Section B

Structural Science

Volume 62, Part 3 (June 2006)


research papers



Acta Cryst. (2006). B62, 506-512    [ doi:10.1107/S010876810600930X ]

The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C22H20O3

N. Guiblin, C. A. Fuhrer, R. Häner, H. Stoeckli-Evans, K. Schenk and G. Chapuis

Abstract: 3,4-Diphenyl-2a,5a,6,7,8,8a,8b-heptahydro-furo[4,3,2-de]chromen-2-one (1) was prepared as part of a project aimed at the synthesis of polycyclic natural-product-like scaffolds. X-ray analysis of crystals grown from ethanol revealed an incommensurately modulated structure. Data include main and satellite reflections up to second order. The modulation vector was refined using the NADA program. The modulated character of the structure of the organic compound C22H20O3 is interpreted in terms of the intermolecular C-H...O hydrogen bonds and close-contact approximation.

Keywords: incommensurate structure; organic crystal; modulation.


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[ doi:10.1107/S010876810600930X/og5016sup3.pdf ]
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