Information card for entry 4110425

Structure parameters

• Formula: C24 H26 N2 O6 S3
• Calculated formula: C24 H26 N2 O6 S3
• Title of publication: Asymmetric Hydrogenation of Trisubstituted Olefins with Iridium-Phosphine Thiazole Complexes: A Further Investigation of the Ligand Structure
• Authors of publication: Christian Hedberg; Klas Källström; Peter Brandt; Lars Kristian Hansen; Pher G. Andersson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2995 - 3001
• a: 8.7495 ± 0.0017 Å
• b: 12.734 ± 0.002 Å
• c: 22.81 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2541.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1555
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No