Information card for entry 2238083

Structure parameters

• Common name: 1,4-diacetateanthraquinone
• Chemical name: 9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl diacetate
• Formula: C18 H12 O6
• Calculated formula: C18 H12 O6
• SMILES: CC(=O)Oc1ccc(c2c1C(=O)c1c(C2=O)cccc1)OC(=O)C
• Title of publication: 9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl diacetate
• Authors of publication: Zhang, Jing-Jing; Yin, Cai-Xia; Huo, Fang-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o788
• a: 8.208 ± 0.007 Å
• b: 9.73 ± 0.008 Å
• c: 9.902 ± 0.008 Å
• α: 73.257 ± 0.016°
• β: 79.986 ± 0.014°
• γ: 80.77 ± 0.014°
• Cell volume: 740.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes