Information card for entry 4072821

Structure parameters

• Formula: C77 H75 O8 P2 Rh Si4
• Calculated formula: C77 H75 O8 P2 Rh Si4
• SMILES: [Rh]12(OC(=CC(=[O]2)C)C)[P]2(Oc3c(c4c(O[P]51Oc1c([Si](C)(C)C)cc6c(c1c1c7c(cc([Si](C)(C)C)c1O5)cccc7)cccc6)ccc1ccccc41)c1ccccc1cc3)Oc1c([Si](C)(C)C)cc3c(c1c1c4c(cc([Si](C)(C)C)c1O2)cccc4)cccc3
• Title of publication: Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation
• Authors of publication: Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 2986
• a: 13.7261 ± 0.0009 Å
• b: 21.6693 ± 0.0015 Å
• c: 23.917 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7113.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No