Information card for entry 4125199

Structure parameters

• Formula: C31 H46 B K N4 O2
• Calculated formula: C31 H46 B K N4 O2
• SMILES: [K]1234([O]([B](c5ccccc5)(c5ccccc5)c5ccccc5)C=[O]1)[N](C)(C)CC[N]4(CC[N]2(C)C)CC[N]3(C)C
• Title of publication: Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.
• Authors of publication: Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 34
• Pages of publication: 10790 - 10793
• a: 9.57 ± 0.002 Å
• b: 19.486 ± 0.004 Å
• c: 17.762 ± 0.004 Å
• α: 90°
• β: 102.244 ± 0.004°
• γ: 90°
• Cell volume: 3236.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No