Information card for entry 2203597

Structure parameters

• Common name: 1-naphthol
• Chemical name: 1-naphthalenol
• Formula: C10 H8 O
• Calculated formula: C10 H8 O
• SMILES: c12c(cccc1O)cccc2
• Title of publication: Redetermination of 1-naphthalenol
• Authors of publication: Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o884 - o885
• a: 13.171 ± 0.002 Å
• b: 4.798 ± 0.001 Å
• c: 13.276 ± 0.003 Å
• α: 90°
• β: 117.12 ± 0.02°
• γ: 90°
• Cell volume: 746.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes