Information card for entry 2219378

Structure parameters

• Chemical name: 6,7-Dimethoxy-1,4-anthraquinone
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: C1(=O)C=CC(=O)c2cc3cc(c(cc3cc12)OC)OC
• Title of publication: 6,7-Dimethoxy-1,4-anthraquinone
• Authors of publication: Kitamura, Chitoshi; Akamatsu, Naoki; Yoneda, Akio; Kawase, Takeshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1802
• a: 7.478 ± 0.003 Å
• b: 7.492 ± 0.003 Å
• c: 22.949 ± 0.009 Å
• α: 90°
• β: 106.646 ± 0.01°
• γ: 90°
• Cell volume: 1231.8 ± 0.9 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.062
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes