Information card for entry 1501637

Structure parameters

• Formula: C27 H18 Br6
• Calculated formula: C27 H18 Br6
• SMILES: C12(c3ccccc3c3ccccc13)c1ccccc1c1ccccc21.C(Br)(Br)Br.C(Br)(Br)Br
• 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: 19.2957 ± 0.001 Å
• b: 13.8813 ± 0.0008 Å
• c: 20.0269 ± 0.001 Å
• α: 90°
• β: 94.857 ± 0.002°
• γ: 90°
• Cell volume: 5344.9 ± 0.5 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: 0.0477
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No