Information card for entry 7040541

Structure parameters

• Formula: C43 H39 Cl O3 P Rh
• Calculated formula: C43 H39 Cl O3 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5c(c6c(O4)c(ccc6)C)cccc5C)c4c(c5c(OC)ccc6ccccc56)c5ccccc5cc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.
• Authors of publication: Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15660 - 15670
• a: 9.6917 ± 0.00006 Å
• b: 17.44304 ± 0.00012 Å
• c: 20.04701 ± 0.00013 Å
• α: 90°
• β: 90.6504 ± 0.0006°
• γ: 90°
• Cell volume: 3388.78 ± 0.04 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No