Information card for entry 4038895

Structure parameters

• Formula: C20 H15 N O
• Calculated formula: C20 H15 N O
• Title of publication: Visible-Light-Induced Decarboxylative Cyclization/Hydrogenation Cascade Reaction to Access Phenanthridin-6-yl(aryl)methanol by an Electron Donor‒Acceptor Complex
• Authors of publication: Shi, Wei; Ma, Fang; Li, Pinhua; Wang, Lei; Miao, Tao
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 10.878 ± 0.006 Å
• b: 17.189 ± 0.01 Å
• c: 8.189 ± 0.005 Å
• α: 90°
• β: 107.049 ± 0.012°
• γ: 90°
• Cell volume: 1463.9 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No