Information card for entry 4069161

Structure parameters

• Formula: C170 H191 N9 O8 P8 Rh4
• Calculated formula: C170 H191 N9 O8 P8 Rh4
• SMILES: [Rh]12(OC(=CC(=[O]2)C)C)[P]2(C[P]31[C@H](CC[C@@H]3c1ccccc1)c1ccccc1)[C@H](CC[C@@H]2c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC
• Title of publication: Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation
• Authors of publication: Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 2993
• a: 13.4836 ± 0.0008 Å
• b: 33.964 ± 0.002 Å
• c: 34.807 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15940.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No