Information card for entry 7157359

Structure parameters

• Formula: C19 H17 N O3
• Calculated formula: C19 H17 N O3
• SMILES: C1(=O)c2ccccc2C(C(=O)N1C)(C)CC(=O)c1ccccc1
• Title of publication: Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.
• Authors of publication: Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1940 - 1948
• a: 9.0158 ± 0.0002 Å
• b: 10.7244 ± 0.0003 Å
• c: 32.8321 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3174.5 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No