Information card for entry 1572401

Structure parameters

• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• Title of publication: Nitrogen-to-functionalized carbon atom transmutation of pyridine
• Authors of publication: Glorius, Frank; Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper; Daniliuc, Constantin Gabriel; Gutierrez, Osvaldo
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 16.53 ± 0.0003 Å
• b: 5.9431 ± 0.0001 Å
• c: 20.4998 ± 0.0004 Å
• α: 90°
• β: 110.449 ± 0.001°
• γ: 90°
• Cell volume: 1886.98 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No