Information card for entry 7107703

Structure parameters

• Formula: C68 H56 B F24 Ir N O P
• Calculated formula: C68 H56 B F23.9255 Ir N O P
• Title of publication: Highly enantioselective asymmetric hydrogenation of (E)-B,B-disubstituted a,B-unsaturated Weinreb amides catalyzed by Ir(I) complexes of SpinPhox ligands
• Authors of publication: Jian Shang; Zhaobin Han; Yang Li; Zheng Wang; Kuiling Ding
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5172
• a: 18.957 ± 0.002 Å
• b: 18.652 ± 0.002 Å
• c: 39.347 ± 0.004 Å
• α: 90°
• β: 100.713 ± 0.002°
• γ: 90°
• Cell volume: 13670 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No