Information card for entry 2219654

Structure parameters

• Chemical name: 9,9'-bianthracene-10,10'(9<i>H</i>,9'<i>H</i>)-dione
• Formula: C28 H18 O2
• Calculated formula: C28 H18 O2
• SMILES: O=C1c2ccccc2C(c2c1cccc2)C1c2ccccc2C(=O)c2c1cccc2
• Title of publication: Redermination of 9,9'-bianthracene-10,10'(9<i>H</i>,9'<i>H</i>)-dione
• Authors of publication: Wen, Zhi-Gang; Li, Jia-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1931
• a: 22.295 ± 0.004 Å
• b: 7.7297 ± 0.0012 Å
• c: 13.643 ± 0.002 Å
• α: 90°
• β: 126.768 ± 0.002°
• γ: 90°
• Cell volume: 1883.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes