Information card for entry 2208311

Structure parameters

• Chemical name: 1-(1-Hydroxy-2-naphthyl)ethanone
• Formula: C12 H10 O2
• Calculated formula: C12 H10 O2
• SMILES: CC(=O)c1ccc2c(c1O)cccc2
• Title of publication: 1-(1-Hydroxy-2-naphthyl)ethanone
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o953 - o954
• a: 7.6259 ± 0.001 Å
• b: 7.0348 ± 0.0007 Å
• c: 18.755 ± 0.003 Å
• α: 90°
• β: 111.502 ± 0.01°
• γ: 90°
• Cell volume: 936.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes