Single crystals of a macrocyclic hydro-carbon, cyclo-2,7-naphthyl-ene (CNAP, C 60H 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 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 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.
|ジャーナル||Acta Crystallographica Section E: Structure Reports Online|
|出版ステータス||Published - 2011 7月|
ASJC Scopus subject areas
- 化学 (全般)