Information card for entry 7158168

Structure parameters

• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• Title of publication: Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.
• Authors of publication: Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 35
• Pages of publication: 7621 - 7626
• a: 15.006 ± 0.006 Å
• b: 6.157 ± 0.002 Å
• c: 27.288 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.2 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0898
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No