Information card for entry 2212473

Structure parameters

• Chemical name: 9,9'-Dianthracenyl
• Formula: C28 H18
• Calculated formula: C28 H18
• SMILES: c1cccc2cc3ccccc3c(c12)c1c2ccccc2cc2ccccc12
• Title of publication: 9,9'-Bianthracenyl
• Authors of publication: Janusz B. Kyzioł; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1235 - o1237
• a: 12.7295 ± 0.0006 Å
• b: 8.8187 ± 0.0003 Å
• c: 17.268 ± 0.0007 Å
• α: 90°
• β: 107.667 ± 0.004°
• γ: 90°
• Cell volume: 1847.04 ± 0.14 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 2
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes