Information card for entry 2216251

Structure parameters

• Chemical name: 2-Carboxy-1-naphthyl acetate
• Formula: C13 H10 O4
• Calculated formula: C13 H10 O4
• Title of publication: 2-Carboxy-1-naphthyl acetate
• Authors of publication: Souza, Bruno S.; Bortoluzzi, Adailton J.; Nome, Faruk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4523 - o4523
• a: 7.569 ± 0.001 Å
• b: 8.498 ± 0.001 Å
• c: 8.892 ± 0.001 Å
• α: 100.78 ± 0.01°
• β: 93.64 ± 0.01°
• γ: 91.56 ± 0.01°
• Cell volume: 560.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes