Information card for entry 2220780

Structure parameters

• Chemical name: 2,3-Dimethoxy-5,12-tetracenequinone
• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: c1c(c(cc2C(=O)c3cc4ccccc4cc3C(=O)c12)OC)OC
• Title of publication: 2,3-Dimethoxy-5,12-tetracenequinone
• Authors of publication: Kitamura, Chitoshi; Akamatsu, Naoki; Yoneda, Akio; Kawase, Takeshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o324
• a: 8.29 ± 0.003 Å
• b: 6.9781 ± 0.0019 Å
• c: 25.779 ± 0.008 Å
• α: 90°
• β: 97.883 ± 0.001°
• γ: 90°
• Cell volume: 1477.2 ± 0.8 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: 0.0621
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes