Information card for entry 1515870

Structure parameters

• Formula: C77 H56 B F24 Ir N O P
• Calculated formula: C77 H56 B F24 Ir N O P
• Title of publication: Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates
• Authors of publication: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 72
• a: 12.8218 ± 0.0004 Å
• b: 14.836 ± 0.0005 Å
• c: 18.8757 ± 0.0006 Å
• α: 96.898 ± 0.002°
• β: 99.557 ± 0.002°
• γ: 95.874 ± 0.002°
• Cell volume: 3487.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No