Information card for entry 4079719

Structure parameters

• Formula: C28 H24 Br2
• Calculated formula: C28 H24 Br2
• SMILES: Brc1ccc(cc1)c1c(c(c(c(c1C)C)c1ccc(cc1)c1ccc(Br)cc1)C)C
• Title of publication: Influence of the Bridging Elements on the Optical Properties of Linked 9,10-Dihydro-9,10-diboraanthracenes
• Authors of publication: Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8420
• a: 21.0472 ± 0.001 Å
• b: 9.0583 ± 0.0003 Å
• c: 24.9332 ± 0.0011 Å
• α: 90°
• β: 104.727 ± 0.004°
• γ: 90°
• Cell volume: 4597.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No