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More than just the first X-ray structure: Microwave spectroscopy and theoretical calculations allow the authors to compare the structure of the volatile odorant allyl acetate (see picture) in the gas phase to its solid-state structure, which is based on diffraction experiments on high-quality binary crystals of cholic acid and the ester. An analogous comparison is successfully performed for isopropyl acetate.
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Mouhib et al. (2011) studied this question.
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