Information card for entry 4083555

Structure parameters

• Formula: C33.5 H35 B Cl F4 O3 P2 Rh
• Calculated formula: C33.5 H35 B Cl F4 O3 P2 Rh
• SMILES: [Rh]123456([P]7(Oc8ccc9ccccc9c8c8c9ccccc9ccc8O7)OC[P@]1(C(C)(C)C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)C.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: 1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations
• Authors of publication: Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 2960
• a: 10.2792 ± 0.0008 Å
• b: 9.3315 ± 0.0007 Å
• c: 18.8328 ± 0.0013 Å
• α: 90°
• β: 100.81 ± 0.002°
• γ: 90°
• Cell volume: 1774.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No