Information card for entry 1549083

Structure parameters

• Formula: C44 H56 B2
• Calculated formula: C44 H56 B2
• Title of publication: A redox-active diborane platform performs C(sp³)-H activation and nucleophilic substitution reactions.
• Authors of publication: Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 3881 - 3891
• a: 5.974 ± 0.0009 Å
• b: 14.639 ± 0.002 Å
• c: 21.461 ± 0.003 Å
• α: 82.273 ± 0.012°
• β: 89.91 ± 0.012°
• γ: 86.79 ± 0.012°
• Cell volume: 1856.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.185
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No