Information card for entry 4120391

Structure parameters

• Formula: C12 H4 B2 Br2 Cl4
• Calculated formula: C12 H4 B2 Br2 Cl4
• SMILES: B1(c2c(B(c3c1cc(c(c3)Cl)Cl)Br)cc(c(c2)Cl)Cl)Br
• Title of publication: C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores
• Authors of publication: Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12892 - 12907
• a: 21.025 ± 0.004 Å
• b: 3.9199 ± 0.0009 Å
• c: 18.035 ± 0.004 Å
• α: 90°
• β: 102.754 ± 0.016°
• γ: 90°
• Cell volume: 1449.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No