Information card for entry 2212982

Structure parameters

• Chemical name: 1,4-Dimethoxyanthracene-9,10-dione
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: COc1ccc(c2c1C(=O)c1ccccc1C2=O)OC
• Title of publication: 1,4-Dimethoxyanthracene-9,10-dione
• Authors of publication: Li-Ping Cao; Yu-Zhou Wang; Meng Gao; Bao-Han Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1876 - o1877
• a: 7.052 ± 0.0016 Å
• b: 14.662 ± 0.003 Å
• c: 12.121 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1253.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes