Information card for entry 4082464

Structure parameters

• Formula: C33 H46 B P2 Rh
• Calculated formula: C33 H46 B P2 Rh
• SMILES: [Rh]1234([P]5([C@H](C)CC[C@H]5C)C[B](c5ccccc5)(c5ccccc5)C[P]51[C@H](C)CC[C@H]5C)[CH]1=[CH]2C2[CH]3=[CH]4C1C2
• Title of publication: Asymmetric Rhodium(I)-Catalyzed C–C Activations with Zwitterionic Bis-phospholane Ligands
• Authors of publication: Parker, Evelyne; Cramer, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 780
• a: 10.37956 ± 0.00008 Å
• b: 15.57637 ± 0.00013 Å
• c: 19.28434 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.81 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No