Information card for entry 1559849

Structure parameters

• Common name: 1-naphthalenemethanol
• Chemical name: Naphthalen-1-ylmethanol
• Formula: C11 H10 O
• Calculated formula: C11 H10 O
• SMILES: OCc1cccc2ccccc12
• Title of publication: Naphthalen-1-ylmethanol
• Authors of publication: Nazarenko, Alexander Y.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: x201646
• a: 4.9306 ± 0.0001 Å
• b: 15.7882 ± 0.0005 Å
• c: 21.0651 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1639.82 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes