Information card for entry 2222392

Structure parameters

• Chemical name: 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene toluene hemisolvate
• Formula: C28.5 H16 Br4
• Calculated formula: C28.5 H16 Br4
• SMILES: Brc1ccc2c(c1)C1(c3c2ccc(c3)Br)c2cc(Br)ccc2c2c1cc(Br)cc2.Cc1ccccc1
• Title of publication: 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene toluene hemisolvate
• Authors of publication: Guo, Ailing; Zhu, Ruitao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1528
• a: 14.6593 ± 0.0018 Å
• b: 29.549 ± 0.004 Å
• c: 11.3753 ± 0.0014 Å
• α: 90°
• β: 96.878 ± 0.002°
• γ: 90°
• Cell volume: 4892 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0827
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes