Information card for entry 2236414

Structure parameters

• Common name: 2,6-dimethoxy-9,10-anthraquinone
• Chemical name: 2,6-dimethoxyanthracene-9,10-dione
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: COc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)OC
• Title of publication: 2,6-Dimethoxy-9,10-anthraquinone
• Authors of publication: Ohta, Akira; Hattori, Kazuki; Kobayashi, Takashi; Naito, Hiroyoshi; Kawase, Takeshi; Kitamura, Chitoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2843
• a: 16.2689 ± 0.0019 Å
• b: 3.9357 ± 0.0004 Å
• c: 19.951 ± 0.0019 Å
• α: 90°
• β: 109.499 ± 0.003°
• γ: 90°
• Cell volume: 1204.2 ± 0.2 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes