Information card for entry 1501638

Structure parameters

• Formula: C26 H18 Br2
• Calculated formula: C26 H18 Br2
• SMILES: c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2.BrCBr
• Title of publication: Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.
• Authors of publication: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest
• Journal of publication: CheM
• Year of publication: 2011
• Journal volume: 1
• Pages of publication: 52 - 12369
• a: 10.384 ± 0.0004 Å
• b: 17.969 ± 0.0007 Å
• c: 11.188 ± 0.0003 Å
• α: 90°
• β: 90.38 ± 0.002°
• γ: 90°
• Cell volume: 2087.52 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No