Information card for entry 7021881

Structure parameters

• Formula: C32 H30
• Calculated formula: C32 H30
• SMILES: c1(c(cc(cc1C)C)C)c1c2ccccc2c(c2c(cc(cc2C)C)C)c2ccccc12
• 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: 7.2622 ± 0.0004 Å
• b: 19.4203 ± 0.0012 Å
• c: 8.8976 ± 0.0005 Å
• α: 90°
• β: 100.495 ± 0.005°
• γ: 90°
• Cell volume: 1233.87 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No