Cyclo-2,7-naphthyl-ene: A redetermination

Waka Nakanishi, Jing Yang Xue, Tomoaki Yoshioka, Hiroyuki Isobe

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10 Citations (Scopus)


Single crystals of a macrocyclic hydro-carbon, [6]cyclo-2,7-naphthyl-ene ([6]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 [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.

Original languageEnglish
Pages (from-to)o1762-o1763
JournalActa Crystallographica Section E: Structure Reports Online
Issue number7
Publication statusPublished - 2011 Jul

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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