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[6]Cyclo-2,7-naphthyl­ene: a redetermination

Single crystals of a macrocyclic hydro­carbon, [6]cyclo-2,7-naphthyl­ene ([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 [Image: see text] in the...

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Detalles Bibliográficos
Autores principales: Nakanishi, Waka, Xue, Jing Yang, Yoshioka, Tomoaki, Isobe, Hiroyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152034/
https://www.ncbi.nlm.nih.gov/pubmed/21837143
http://dx.doi.org/10.1107/S1600536811023427
Descripción
Sumario:Single crystals of a macrocyclic hydro­carbon, [6]cyclo-2,7-naphthyl­ene ([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 [Image: 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 mol­ecular 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, mol­ecules 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 inter­columnar contact.