Information card for entry 2238152

Structure parameters

• Chemical name: 4-(Naphthalen-1-yl)pyridine
• Formula: C15 H11 N
• Calculated formula: C15 H11 N
• SMILES: n1ccc(cc1)c1cccc2c1cccc2
• Title of publication: 4-(Naphthalen-1-yl)pyridine
• Authors of publication: Vetter, Antje; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1033
• a: 6.8487 ± 0.0002 Å
• b: 7.4436 ± 0.0002 Å
• c: 21.8378 ± 0.0005 Å
• α: 90°
• β: 91.833 ± 0.001°
• γ: 90°
• Cell volume: 1112.7 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes