title: Absolute configuration determination of the anti-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization with L-prolinol.
abstract: The absolute configuration has been established of the enantiopure anti-head-to-head cyclodimer of anthracene-2-carboxylic acid (AC) cocrystallized with L-propinol and dichloromethane [systematic name: (S)-2-(hydroxymethyl)pyrrolidin-1-ium (5R,6S,11R,12S)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[a,e][8]annulene-2-carboxylate dichloromethane monosolvate], C5H12NO(+)·C30H19O4(-)·CH2Cl2. In the crystal structure, the AC dimer interacts with L-prolinol through a nine-membered hydrogen-bonded ring [R2(2)(9)], while the dichloromethane molecule is incorporated to fill the void space. The absolute configuration determined in this study verifies a recent assignment made by comparing theoretical versus experimental circular dichroism spectra.
authors.affiliation: Department of Applied Chemistry, Osaka University, Yamadaoka, Suita 565-0871, Japan.
authors.forename: Yuko
authors.initials: Y
authors.lastname: Kawanami
authors.forename: Hidekazu
authors.initials: H
authors.lastname: Tanaka
authors.forename: Jun-ichi
authors.initials: J
authors.lastname: Mizoguchi
authors.forename: Nobuko
authors.initials: N
authors.lastname: Kanehisa
authors.forename: Gaku
authors.initials: G
authors.lastname: Fukuhara
authors.forename: Masaki
authors.initials: M
authors.lastname: Nishijima
authors.forename: Tadashi
authors.initials: T
authors.lastname: Mori
authors.forename: Yoshihisa
authors.initials: Y
authors.lastname: Inoue
keywords: absolute configuration; anthracene-2-carboxylic acid; anti-head-to-head cyclodimer; circular dichroism spectra; crystal structure; l-prolinol