Information card for entry 7158155

Structure parameters

• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• Title of publication: Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.
• Authors of publication: Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 29
• Pages of publication: 6473 - 6477
• a: 12.1633 ± 0.0009 Å
• b: 16.9191 ± 0.0014 Å
• c: 20.785 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4277.4 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No