Information card for entry 2005719

Structure parameters

• Common name: 2-naphthylbutyric acid
• Chemical name: 4-(2-naphthyl)butanoic acid
• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: OC(=O)CCCc1ccc2c(c1)cccc2
• Title of publication: 4-(2-Naphthyl)butanoic Acid
• Authors of publication: Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3083 - 3086
• a: 10.058 ± 0.001 Å
• b: 4.971 ± 0.002 Å
• c: 22.924 ± 0.002 Å
• α: 90°
• β: 97.897 ± 0.009°
• γ: 90°
• Cell volume: 1135.3 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No