Information card for entry 7131007

Structure parameters

• Common name: SG-93
• Formula: C24 H25 F3 Ir N O4
• Calculated formula: C24 H25 F3 Ir N O4
• Title of publication: C–H amidation of 2-aryl azlactones under iridium(iii) catalysis: access to chiral amino acids
• Authors of publication: Park, Min Seo; Chung, Eunjae; Mishra, Neeraj Kumar; Han, Sang Hoon; Han, Sangil; Kim, Saegun; Kim, In Su
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.971 ± 0.002 Å
• b: 27.011 ± 0.006 Å
• c: 9.49 ± 0.002 Å
• α: 90°
• β: 93.878 ± 0.007°
• γ: 90°
• Cell volume: 2294.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No