Information card for entry 4081827

Structure parameters

• Formula: C40 H41 B Si
• Calculated formula: C40 H41 B Si
• SMILES: B1([C@@](C(=C([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)[Si](CC)(CC)CC)c1ccccc1.B1([C@](C(=C([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)[Si](CC)(CC)CC)c1ccccc1
• Title of publication: Si‒H Bond Activation at the Boron Center of Pentaphenylborole
• Authors of publication: Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kupfer, Thomas; Wahler, Johannes
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6800
• a: 21.6102 ± 0.0014 Å
• b: 19.7073 ± 0.0012 Å
• c: 30.494 ± 0.0018 Å
• α: 90°
• β: 101.515 ± 0.002°
• γ: 90°
• Cell volume: 12725.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No