Information card for entry 7128554

Structure parameters

• Formula: C24 H16 O4
• Calculated formula: C24 H16 O4
• SMILES: o1c(=O)c(c(c2c1cc(cc2)C)c1ccccc1)C(=O)C(=O)c1ccccc1
• Title of publication: A visible-light-induced photocatalyst-free approach for C-3 dicarbonyl coumarin production.
• Authors of publication: Xi, Jinhu; Wu, Xinjie; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7308 - 7311
• a: 19.224 ± 0.002 Å
• b: 20.02 ± 0.002 Å
• c: 10.0058 ± 0.0012 Å
• α: 90°
• β: 97.418 ± 0.01°
• γ: 90°
• Cell volume: 3818.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No