Information card for entry 2206308

Structure parameters

• Chemical name: 4-(2-Naphthyl)pyrimidine
• Formula: C14 H10 N2
• Calculated formula: C14 H10 N2
• SMILES: n1cnccc1c1cc2ccccc2cc1
• Title of publication: 4-(2-Naphthyl)pyrimidine
• Authors of publication: Ingebrigtsen, Truls; Lejon, Tore; Hansen, Lars Kr.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2256 - o2257
• a: 7.4467 ± 0.0016 Å
• b: 6.1343 ± 0.0011 Å
• c: 22.72 ± 0.003 Å
• α: 90°
• β: 92.508 ± 0.019°
• γ: 90°
• Cell volume: 1036.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.187
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes