Information card for entry 4117339

Structure parameters

• Formula: C30 H49 Cl F6 N2 P2 Rh Sb
• Calculated formula: C30 H49 Cl F6 N2 P2 Rh Sb
• SMILES: C[P@]1(C(C)(C)C)c2c(nc3c(cccc3)n2)[P@](C)(C(C)(C)C)[Rh]2341[CH]1=[CH]2CC[CH]3=[CH]4CC1.C[C@@H](CC)Cl.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes
• Authors of publication: Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1754 - 1769
• a: 9.11 ± 0.009 Å
• b: 16.152 ± 0.015 Å
• c: 24.27 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3571 ± 6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No