Information card for entry 1548873

Structure parameters

• Formula: C65 H60 Cl6 O4 Rh2
• Calculated formula: C65 H60 Cl6 O4 Rh2
• SMILES: [Rh]12345([Cl][Rh]6789([Cl]1)(Cl)[cH]1[c]%106[c]9(Cc6c(OC)cc9ccccc9c6c6c(c(OC)cc9ccccc69)C%10)[cH]8[c]71C(C)C)(Cl)[c]16[c]3(Cc3c(c7c(c(OC)cc8c7cccc8)C1)c1c(cc3OC)cccc1)[cH]5[c]4([cH]26)C(C)C.ClCCl
• Title of publication: Tailored trisubstituted chiral Cp ^<i>x</i> Rh^III catalysts for kinetic resolutions of phosphinic amides.
• Authors of publication: Sun, Y.; Cramer, N.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2981 - 2985
• a: 9.524 ± 0.0005 Å
• b: 17.1108 ± 0.0009 Å
• c: 36.4272 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5936.3 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No