Information card for entry 2228223

Structure parameters

• Chemical name: 4-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-4-oxobutanoic acid
• Formula: C18 H12 O5
• Calculated formula: C18 H12 O5
• SMILES: O=C1c2cccc(c2C(=O)c2c1cccc2)C(=O)CCC(=O)O
• Title of publication: 4-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-4-oxobutanoic acid
• Authors of publication: Li, Yi; Lu, Qi-Sheng; Wei, Rong-Qing; Liu, Xiao-Ning; Li, Fang-Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3237
• a: 5.168 ± 0.001 Å
• b: 19.523 ± 0.004 Å
• c: 14.367 ± 0.003 Å
• α: 90°
• β: 99.58 ± 0.03°
• γ: 90°
• Cell volume: 1429.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes