Information card for entry 1515869

Structure parameters

• Formula: C72 H74 B F24 Ir N O2 P
• Calculated formula: C72 H74 B F24 Ir N O2 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: 44.28 ± 0.002 Å
• b: 12.7293 ± 0.0006 Å
• c: 25.6592 ± 0.0011 Å
• α: 90°
• β: 95.409 ± 0.004°
• γ: 90°
• Cell volume: 14398.5 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0707
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No