Information card for entry 4022408

Structure parameters

• Common name: trans,trans-[1.1](3,3')-Azobenzenophane
• Formula: C26 H20 N4
• Calculated formula: C26 H20 N4
• SMILES: N1=Nc2cccc(c2)Cc2cccc(N=Nc3cccc(c3)Cc3cc1ccc3)c2
• Title of publication: Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers
• Authors of publication: Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 8291 - 8304
• a: 10.409 ± 0.002 Å
• b: 16.274 ± 0.002 Å
• c: 12.299 ± 0.003 Å
• α: 90°
• β: 101.256 ± 0.009°
• γ: 90°
• Cell volume: 2043.3 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No