Information card for entry 2240866

Structure parameters

• Chemical name: 1,4-Diethoxy-9,10-anthraquinone
• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: c1(ccc(c2C(=O)c3ccccc3C(=O)c12)OCC)OCC
• Title of publication: Crystal structure of 1,4-diethoxy-9,10-anthraquinone
• Authors of publication: Kitamura, Chitoshi; Li, Sining; Takehara, Munenori; Inoue, Yoshinori; Ono, Katsuhiko; Kawase, Takeshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o504 - o505
• a: 13.5514 ± 0.0011 Å
• b: 14.7204 ± 0.0011 Å
• c: 14.5905 ± 0.001 Å
• α: 90°
• β: 90.604 ± 0.003°
• γ: 90°
• Cell volume: 2910.4 ± 0.4 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: 0.1239
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes