Information card for entry 2217434

Structure parameters

• Chemical name: 4,5,6,7-Tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)indane
• Formula: C18 H12 Br8
• Calculated formula: C18 H12 Br8
• SMILES: Brc1c(C2(CC(C)(C)c3c(Br)c(Br)c(Br)c(Br)c23)C)cc(Br)c(Br)c1Br
• Title of publication: 4,5,6,7-Tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)indane
• Authors of publication: Konstantinov, Alex; McCrindle, Robert; Arsenault, Gilles; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o439 - o439
• a: 20.2603 ± 0.0006 Å
• b: 7.3862 ± 0.0002 Å
• c: 15.2233 ± 0.0008 Å
• α: 90°
• β: 110.407 ± 0.0015°
• γ: 90°
• Cell volume: 2135.14 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0732
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes