Information card for entry 2220269

Structure parameters

• Chemical name: 1-naphthaleneacetic acid
• Formula: C12 H10 O2
• Calculated formula: C12 H10 O2
• SMILES: c12c(cccc1cccc2)CC(=O)O
• Title of publication: Redetermination of 1-naphthaleneacetic acid
• Authors of publication: Li, Zhi-An; Chen, Dao-Yong; Liu, Li-Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2310
• a: 12.7079 ± 0.0019 Å
• b: 5.1464 ± 0.0008 Å
• c: 15.014 ± 0.002 Å
• α: 90°
• β: 91.987 ± 0.003°
• γ: 90°
• Cell volume: 981.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes