The crystal structure of a nonalkenic, cyclic trimer of levoglucosenone
β Scribed by Thomas T. Stevenson; Richard H. Furneaux; David Pang; Fred Shafizadeh; Lyle H. Jensen; Ronald E. Stenkamp
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 600 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0008-6215
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β¦ Synopsis
A single-crystal, X-ray diffraction study was performed on a nonalkenic, cyclic trimer (C,,H,sO,, 4) of levoglucosenone, in order to confirm its chemical structure. Crystals of 4 are orthorhombic, with unit-cell parameters of a = 792.20, b = 1874.35, c = 2383.02 pm, space group P2,2,2,, and z = 8. The structure was solved by direct methods, and refined by least-squares to R = 0.032, based on 2990 unique reflections. Each asymmetrical unit contains two symmetry-independent molecules of 4 and one of acetone. The previously assigned chemical structure and stereochemistry of 4 were found to be correct.
π SIMILAR VOLUMES
## Abstract Prediction of the known crystal structure of cyclicβLβSer(Oβ__t__βBu)βΞ²βAlaβGlyβLβΞ²βAsp(OMe) has been attempted by establishing the lowβenergy conformations of the isolated molecule by conformational analysis, and then regarding each of these as a rigid molecule, by establishing the fav