Information card for entry 2208310

Structure parameters

• Chemical name: 4-(2-Naphthoxy)phthalonitrile
• Formula: C18 H10 N2 O
• Calculated formula: C18 H10 N2 O
• SMILES: N#Cc1ccc(cc1C#N)Oc1ccc2c(c1)cccc2
• Title of publication: 4-(2-Naphthoxy)phthalonitrile
• Authors of publication: Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ag̃ar, Erbil; Kalkan, Hüseyin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o999 - o1000
• a: 8.163 ± 0.0007 Å
• b: 29.3272 ± 0.0009 Å
• c: 11.436 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes