Information card for entry 4033857

Structure parameters

• Formula: C24 H17 N O3
• Calculated formula: C24 H17 N O3
• SMILES: O=C(c1ccc(cc1)C)C(=O)c1c(noc1c1ccccc1)c1ccccc1
• Title of publication: ICl/AgNO₃ Co-Catalyzed Radical Oxidation of Diaryl- and Alkylarylalkynes into 1,2-Diketones.
• Authors of publication: Yang, Wen; Chen, Yu; Yao, Yongqi; Yang, Xin; Lin, Qifu; Yang, Dingqiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11080 - 11090
• a: 15.8728 ± 0.0005 Å
• b: 9.0055 ± 0.0003 Å
• c: 13.384 ± 0.0005 Å
• α: 90°
• β: 95.57 ± 0.003°
• γ: 90°
• Cell volume: 1904.11 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No