title: Crystallographic evidence for cyclopropane ring formation in isotwistenes obtained by thermal cascade reactions of cyclopentadienone with acyclic conjugated dienes.
abstract: The molecular structure of the double Diels-Alder (DDA) adduct derived from three-step thermal cascade reactions of 2,5-bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone with ethyl sorbate is elucidated by single crystal X-ray analysis. The structural features and the reaction mechanism of the adduct are discussed on the basis of density functional theory (DFT) calculation results.
authors: Faculty of Phamaceutical Sciences, Sojo University.
authors: Koki
authors: K
authors: Yamaguchi
authors: Masashi
authors: M
authors: Eto
authors: Yasuyuki
authors: Y
authors: Yoshitake
authors: Kazunobu
authors: K
authors: Harano
mesh_terms: D018360:Crystallography, X-Ray; D003517:Cyclopentanes / Q000737:chemistry*; D003521:Cyclopropanes / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D003517:Cyclopentanes; D003521:Cyclopropanes; C030797:cyclopropane