Information card for entry 7117294

Structure parameters

• Formula: C33 H48 B F4 P2 Rh
• Calculated formula: C33 H48 B F4 P2 Rh
• SMILES: [Rh]1234([P]5([C@@H](c6ccccc6)CC[C@@H]5c5ccccc5)C[P]1(C(C)(C)C)C(C)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: A one-step, modular route to optically-active diphos ligands
• Authors of publication: E. Louise Hazeland; Andy M. Chapman; Paul G. Pringle; Hazel A. Sparkes
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10206
• a: 10.6347 ± 0.0003 Å
• b: 29.6678 ± 0.0007 Å
• c: 10.7567 ± 0.0003 Å
• α: 90°
• β: 105.968 ± 0.001°
• γ: 90°
• Cell volume: 3262.88 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No