Information card for entry 1542900

Structure parameters

• Common name: 2-(naphthalen-1-yl)ethanol
• Chemical name: 2-(Naphthalen-1-yl)ethanol
• Formula: C12 H12 O
• Calculated formula: C12 H12 O
• SMILES: OCCc1cccc2ccccc12
• Title of publication: 2-(Naphthalen-1-yl)ethanol
• Authors of publication: Garozzo, Lee Ann; Nazarenko, Alexander Y.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160423
• a: 9.8022 ± 0.0006 Å
• b: 14.9047 ± 0.0009 Å
• c: 12.643 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes