title: Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diaza-penta-cyclo[5.5.5.0(1,16).0(2,6).0(8,12)]hepta-deca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate.
abstract: The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene mol-ecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bi-cyclo-[2.2.2]octene core, forming chains along [001].
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Wayland E
authors.initials: WE
authors.lastname: Noland
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Neil J
authors.initials: NJ
authors.lastname: Kroll
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Matthew P
authors.initials: MP
authors.lastname: Huisenga
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Ruixian A
authors.initials: RA
authors.lastname: Yue
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Simon B
authors.initials: SB
authors.lastname: Lang
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Nathan D
authors.initials: ND
authors.lastname: Klein
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
authors.forename: Kenneth J
authors.initials: KJ
authors.lastname: Tritch
keywords: autoxidation; crystal structure; cyclo­addition; double addition; thio­phene