Information card for entry 2001470

Structure parameters

• Formula: C19 H13 N O
• Calculated formula: C19 H13 N O
• SMILES: c1ccc(cc1)c1cnc(o1)c1cccc2c1cccc2
• Title of publication: Structure of 2-(1-naphthyl)-5-phenyl-1,3-oxazole (α-NPO)
• Authors of publication: Yip, B.-C.; Fun, H.-K.; Teoh, S.-G.; Shawkataly, O. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1532 - 1534
• a: 15.722 ± 0.003 Å
• b: 3.906 ± 0.001 Å
• c: 21.969 ± 0.004 Å
• α: 90°
• β: 99.44 ± 0.02°
• γ: 90°
• Cell volume: 1330.8 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0338
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No