Information card for entry 7131006

Structure parameters

• Common name: SG-46
• Formula: C19 H16 N2 O3
• Calculated formula: C19 H16 N2 O3
• SMILES: c1ccccc1C(=O)Nc1c(ccc(c1)C)C1=NC2(C(=O)O1)CC2
• 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: 11.6867 ± 0.001 Å
• b: 19.3211 ± 0.0017 Å
• c: 7.1481 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No