Information card for entry 7123648

Structure parameters

• Formula: C26 H20 N2 O2
• Calculated formula: C26 H20 N2 O2
• Title of publication: Co(II)/Cu(II)-cocatalyzed oxidative C–H/N–H functionalization of benzamides with ketones: a facile route to isoindolin-1-ones
• Authors of publication: Zhou, Xi; Xu, Hongyan; Yang, Qiaodan; Chen, Hua; 王, 守锋; Zhao, Huaiqing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.701 ± 0.006 Å
• b: 9.584 ± 0.007 Å
• c: 24.807 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2069 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No