Information card for entry 1550166

Structure parameters

• Formula: C22 H31 Ir O2
• Calculated formula: C22 H31 Ir O2
• Title of publication: Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis
• Authors of publication: Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.8334 ± 0.0002 Å
• b: 8.23239 ± 0.00014 Å
• c: 22.2298 ± 0.0004 Å
• α: 90°
• β: 98.0838 ± 0.0017°
• γ: 90°
• Cell volume: 1962.86 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No