Information card for entry 2213599

Structure parameters

• Common name: resodiacetophenone
• Chemical name: 2,4-Diacetylbenzene-1,3-diol
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: O=C(c1c(O)c(c(O)cc1)C(=O)C)C
• Title of publication: 2,4-Diacetylbenzene-1,3-diol
• Authors of publication: Aazam, Elham S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2751 - o2752
• a: 6.9666 ± 0.0003 Å
• b: 10.6786 ± 0.0007 Å
• c: 24.0792 ± 0.0014 Å
• α: 90°
• β: 95.215 ± 0.004°
• γ: 90°
• Cell volume: 1783.92 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes