Information card for entry 2200038

Structure parameters

• Common name: 2-Naphthyloxyacetic acid
• Chemical name: 2-Naphthalenyloxyethanoic acid
• Formula: C12 H10 O3
• Calculated formula: C12 H10 O3
• SMILES: c1(cc2ccccc2cc1)OCC(=O)O
• Title of publication: Redetermination of 2-(naphthalen-2-yloxy)ethanoic acid
• Authors of publication: Howie, R. Alan; Skakle, Janet M. S.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o72 - o74
• a: 12.3112 ± 0.001 Å
• b: 6.8401 ± 0.0005 Å
• c: 13.1658 ± 0.001 Å
• α: 90°
• β: 116.507 ± 0.002°
• γ: 90°
• Cell volume: 992.14 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes