Information card for entry 7021879

Structure parameters

• Formula: C38 H50 B2 Li2 O2
• Calculated formula: C38 H50 B2 Li2 O2
• SMILES: B1(c2c(B(c3c1cccc3)c1c(cc(cc1C)C)C)cccc2)c1c(cc(cc1C)C)C.[Li][O](CC)CC.[Li][O](CC)CC
• 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: 20.2695 ± 0.0012 Å
• b: 13.5626 ± 0.0009 Å
• c: 14.2131 ± 0.0008 Å
• α: 90°
• β: 117.614 ± 0.004°
• γ: 90°
• Cell volume: 3462.2 ± 0.4 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: 0.0556
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No