Information card for entry 4076853

Structure parameters

• Formula: C47 H56 Cl O5 P2 Rh
• Calculated formula: C47 H56 Cl O5 P2 Rh
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2O[P]2(Oc3c(cc(c(c3c3c(c(cc(c3O2)C(C)(C)C)C)C)C)C)C(C)(C)C)[Rh]1(C#[O])Cl.CCOCC
• Title of publication: Electronic Differences between Coordinating Functionalities of Chiral Phosphine−Phosphites and Effects in Catalytic Enantioselective Hydrogenation
• Authors of publication: Suárez, Andrés; Méndez-Rojas, Miguel A.; Pizzano, Antonio
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4611
• a: 10.0304 ± 0.0002 Å
• b: 13.3552 ± 0.0003 Å
• c: 34.9411 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4680.64 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No