Information card for entry 7240295

Structure parameters

• Formula: C12 H11 N O3
• Calculated formula: C12 H11 N O3
• Title of publication: Environmentally benign access to isoindolinones: synthesis, separation and resource recycling
• Authors of publication: Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 9
• Pages of publication: 2873 - 2878
• a: 4.1648 ± 0.0003 Å
• b: 10.9613 ± 0.0006 Å
• c: 12.044 ± 0.0007 Å
• α: 105.854 ± 0.005°
• β: 90.015 ± 0.006°
• γ: 94.64 ± 0.006°
• Cell volume: 527.04 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No