Information card for entry 2228312

Structure parameters

• Chemical name: 4-(1-Naphthyl)benzonitrile
• Formula: C17 H11 N
• Calculated formula: C17 H11 N
• SMILES: N#Cc1ccc(cc1)c1cccc2c1cccc2
• Title of publication: 4-(1-Naphthyl)benzonitrile
• Authors of publication: Lima, Carlos F.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3289
• a: 7.3387 ± 0.0003 Å
• b: 11.3461 ± 0.0005 Å
• c: 15.5804 ± 0.0007 Å
• α: 71.237 ± 0.002°
• β: 89.981 ± 0.002°
• γ: 87.647 ± 0.002°
• Cell volume: 1227.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes