title: [6]Cyclo-2,7-naphthyl-ene: a redetermination.
abstract: Single crystals of a macrocyclic hydro-carbon, [6]cyclo-2,7-naphthyl-ene ([6]CNAP, C(60)H(36)) were prepared from anthracene melt with a prolonged time for the recrystallization. The crystal of improved quality led to the correction of the space-group assignment to Cmca from [Formula: see text] in the original determination [Nakanishi et al. (2011 ▶) Angew. Chem. Int. Ed.50, 5323-5326] and the refinement of anisotropic displacement parameters of all C atoms. The refined mol-ecular structure with C(2h) point symmetry indicated that the strain on the naphthyl rings of [6]CNAP is smallest among the congeners. Despite the large macrocyclic structure, mol-ecules are packed in a ubiquitous herringbone motif. A short C-C distance of 3.119 (4) Å was found in the stacking direction, and a short C-H distance of 2.80 Å was found in the inter-columnar contact.
authors.affiliation: Department of Chemistry, Tohoku University, Aoba-ku, Sendai, 980-8578, Japan.
authors.forename: Waka
authors.initials: W
authors.lastname: Nakanishi
authors.forename: Jing Yang
authors.initials: JY
authors.lastname: Xue
authors.forename: Tomoaki
authors.initials: T
authors.lastname: Yoshioka
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Isobe