Information card for entry 2223641

Structure parameters

• Chemical name: Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine–dichlorophenylborane
• Formula: C39 H54 B Cl2 P
• Calculated formula: C39 H54 B Cl2 P
• SMILES: [B](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccccc1
• Title of publication: Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine–dichlorophenylborane
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Radacki, Krzysztof; Wagner, Katharina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2787
• a: 16.9716 ± 0.0008 Å
• b: 15.5992 ± 0.0007 Å
• c: 26.5497 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7028.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes