Information card for entry 2207988

Structure parameters

• Chemical name: 2,7-dibromo-9,9-di-n-octyl-9H-fluorene
• Formula: C29 H40 Br2
• Calculated formula: C29 H40 Br2
• SMILES: Brc1cc2c(cc1)c1ccc(Br)cc1C2(CCCCCCCC)CCCCCCCC
• Title of publication: 2,7-Dibromo-9,9-di-<i>n</i>-octyl-9<i>H</i>-fluorene
• Authors of publication: McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o859 - o861
• a: 18.7019 ± 0.0005 Å
• b: 18.7019 ± 0.0005 Å
• c: 16.2506 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5683.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes