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Solution of the Crystal and Molecular Structure of Complex Low-Symmetry Organic Compounds with Powder Diffraction Techniques: Fluorescein Diacetate
Authors:Kenneth D. Knudsen  Philip Pattison  Andrew N. Fitch  Robert J. Cernik
Abstract:Without any prior knowledge of the molecular structure , all 31 carbon and oxygen atoms of fluorescein diacetate were accurately located based on a high-resolution powder diffraction experiment. Direct methods and Fourier recycling were used. This represents a considerable advance with respect to the size of an organic molecule whose structure can be solved by ab initio methods from measurements on a powder.
Keywords:Ab initio calculations  Fluorescein  Structure elucidation  Synchrotron radiation  X-ray scattering
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