Information card for entry 1563325

Structure parameters

• Formula: C33 H31 N O5
• Calculated formula: C33 H31 N O5
• Title of publication: Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications
• Authors of publication: Zhang, Yajun; Jiang, Dandan; Fang, Zheng; Zhu, Ning; Sun, Naixian; He, Wei; Liu, Chengkou; Zhao, Lili; Guo, Kai
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.2493 ± 0.0006 Å
• b: 16.1549 ± 0.0009 Å
• c: 13.9996 ± 0.0007 Å
• α: 90°
• β: 113.515 ± 0.002°
• γ: 90°
• Cell volume: 2747.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1267
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No