Information card for entry 2235810

Structure parameters

• Chemical name: 2,3,6,7-Tetramethoxy-9,10-anthraquinone
• Formula: C18 H16 O6
• Calculated formula: C18 H16 O6
• SMILES: COc1cc2c(cc1OC)C(=O)c1c(C2=O)cc(c(c1)OC)OC
• Title of publication: 2,3,6,7-Tetramethoxy-9,10-anthraquinone
• Authors of publication: Ohta, Akira; Hattori, Kazuki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi; Kitamura, Chitoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2587
• a: 4.6607 ± 0.0004 Å
• b: 8.4769 ± 0.0009 Å
• c: 9.811 ± 0.0009 Å
• α: 94.859 ± 0.003°
• β: 91.41 ± 0.002°
• γ: 97.278 ± 0.002°
• Cell volume: 382.87 ± 0.06 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes