Information card for entry 7158169

Structure parameters

• Formula: C12 H12 N2 O2
• Calculated formula: C12 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: 9.806 ± 0.003 Å
• b: 11.637 ± 0.003 Å
• c: 9.954 ± 0.003 Å
• α: 90°
• β: 105.446 ± 0.004°
• γ: 90°
• Cell volume: 1094.8 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0483
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No