Information card for entry 7021882

Structure parameters

• Formula: C48 H38
• Calculated formula: C48 H38
• SMILES: c1(c(ccc2c1cccc2)C)c1c2ccccc2c(c2c(ccc3c2cccc3)C)c2ccccc12.c1ccccc1.c1ccccc1
• 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: 9.1166 ± 0.0017 Å
• b: 9.424 ± 0.0018 Å
• c: 10.5376 ± 0.0018 Å
• α: 87.558 ± 0.015°
• β: 81.861 ± 0.014°
• γ: 71.156 ± 0.015°
• Cell volume: 848.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No