Information card for entry 7242054

Structure parameters

• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• Title of publication: An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins
• Authors of publication: Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 1274 - 1279
• a: 9.099 ± 0.0006 Å
• b: 12.6543 ± 0.0009 Å
• c: 17.4953 ± 0.0014 Å
• α: 69.761 ± 0.007°
• β: 87.356 ± 0.006°
• γ: 78.198 ± 0.006°
• Cell volume: 1849.4 ± 0.3 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: 0.071
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No