Information card for entry 1559090

Structure parameters

• Formula: C22 H30 Cl Ir N O2
• Calculated formula: C22 H30 Cl Ir N O2
• Title of publication: Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System
• Authors of publication: Shimizu, Hideo; Maeda, Hironori; Nara, Hideki
• Journal of publication: Organic Process Research & Development
• Year of publication: 2020
• a: 8.6176 ± 0.0002 Å
• b: 9.8322 ± 0.0003 Å
• c: 26.348 ± 0.0008 Å
• α: 90°
• β: 96.471 ± 0.003°
• γ: 90°
• Cell volume: 2218.24 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No