Information card for entry 4129366

Structure parameters

• Formula: C42 H58 B2 Li2 O3
• Calculated formula: C42 H58 B2 Li2 O3
• Title of publication: A preorganized ditopic borane as highly efficient one- or two-electron trap.
• Authors of publication: Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 10
• Pages of publication: 3705 - 3714
• a: 10.6874 ± 0.0007 Å
• b: 11.5577 ± 0.0008 Å
• c: 17.3663 ± 0.0012 Å
• α: 101.338 ± 0.005°
• β: 99.271 ± 0.005°
• γ: 106.041 ± 0.005°
• Cell volume: 1967.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No