Information card for entry 2009687

Structure parameters

• Formula: C13 H12 O3
• Calculated formula: C13 H12 O3
• SMILES: COc1ccc2c(c1)cc(cc2)OC(=O)C
• Title of publication: 2-Acetoxy-7-methoxynaphthalene
• Authors of publication: Prince, P.; Fronczek, F.R.; Gandour, R.D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 797 - 798
• a: 5.8414 ± 0.0005 Å
• b: 7.9263 ± 0.001 Å
• c: 23.776 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.8 ± 0.2 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 3.513
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No