Information card for entry 7021877

Structure parameters

• Formula: C30 H30 B2
• Calculated formula: C30 H30 B2
• SMILES: B1(c2ccccc2B(c2c1cccc2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.
• Authors of publication: Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13826 - 13837
• a: 12.835 ± 0.0012 Å
• b: 22.061 ± 0.003 Å
• c: 9.0732 ± 0.0008 Å
• α: 90°
• β: 107.478 ± 0.007°
• γ: 90°
• Cell volume: 2450.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1454
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No