Information card for entry 4064332

Structure parameters

• Formula: C77 H73 O8 P2 Rh
• Calculated formula: C77 H73 O8 P2 Rh
• SMILES: [CH]12=[CH2][Rh]32(C1)[P]1(OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1)Oc1c(cc(cc1C(C)(C)C)OC)c1c(c(cc(c1)OC)C(C)(C)C)O[P]13OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
• Title of publication: A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation
• Authors of publication: Selent, Detlef; Franke, Robert; Kubis, Christoph; Spannenberg, Anke; Baumann, Wolfgang; Kreidler, Burkard; Börner, Armin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4509
• a: 22.4767 ± 0.0004 Å
• b: 30.9663 ± 0.0006 Å
• c: 23.2452 ± 0.0005 Å
• α: 90°
• β: 116.761 ± 0.0013°
• γ: 90°
• Cell volume: 14446.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No