Information card for entry 2238809

Structure parameters

• Chemical name: Anthracene-1,4,9,10-tetraone
• Formula: C14 H6 O4
• Calculated formula: C14 H6 O4
• SMILES: O=C1C=CC(=O)C2=C1C(=O)c1ccccc1C2=O
• Title of publication: Anthracene-1,4,9,10-tetraone
• Authors of publication: Kitamura, Chitoshi; Kawase, Takeshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1597
• a: 39.45 ± 0.004 Å
• b: 5.4465 ± 0.0005 Å
• c: 32.787 ± 0.003 Å
• α: 90°
• β: 119.185 ± 0.009°
• γ: 90°
• Cell volume: 6150.4 ± 1.1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No