Acta Crystallographica Section B

Structural Science

Volume 53, Part 5 (October 1997)


research papers



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Acta Cryst. (1997). B53, 838-842    [doi:10.1107/S0108768197005703]

Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (S) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate

V. J. Blazis, K. J. Koeller, N. P. Rath and C. D. Spilling

Synopsis: X-ray structure determination of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethyl- phosphonate provides an example of validating Wallach's rule. The calculated density of the racemate was found to be 6.1% greater than the (S) enantiomer.


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Structure factor file (CIF format) (139.8 kbytes)
Contains datablock cds9396


fcfdisplay filedownload file

Structure factor file (CIF format) (148.0 kbytes)
Contains datablock s8696s


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