Information card for entry 4130326

Structure parameters

• Formula: C92 H124 B4 Li4 O3
• Calculated formula: C92 H124 B4 Li4 O3
• SMILES: [BH]1([BH]2c3cc(ccc3c3c2cc(cc3)C(C)(C)C)C(C)(C)C)c2c(ccc(c2)C(C)(C)C)c2c1cc(cc2)C(C)(C)C.C1OCCC1.C1CCCO1.[Li+].[Li+]
• Title of publication: Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).
• Authors of publication: Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 19
• Pages of publication: 6224 - 6233
• a: 28.292 ± 0.003 Å
• b: 10.6612 ± 0.0008 Å
• c: 30.648 ± 0.003 Å
• α: 90°
• β: 113.952 ± 0.007°
• γ: 90°
• Cell volume: 8448.2 ± 1.4 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: 0.1899
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No