Information card for entry 7040538

Structure parameters

• Formula: C40 H33 Cl O2 P Rh
• Calculated formula: C40 H33 Cl O2 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5c(c6c(O4)cccc6)cccc5)c4c(c5cccc6ccccc56)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: 10.4774 ± 0.0002 Å
• b: 10.4774 ± 0.0002 Å
• c: 49.1495 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4672.6 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No