Information card for entry 7242249

Structure parameters

• Formula: C20 H19 N5 O
• Calculated formula: C20 H19 N5 O
• Title of publication: Blue-light-promoted radical C‒H azolation of cyclic nitrones enabled by Selectfluor®
• Authors of publication: Akulov, Alexey A.; Varaksin, Mikhail V.; Tsmokalyuk, Anton N.; Charushin, Valery N.; Chupakhin, Oleg N.
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 2049 - 2057
• a: 6.7011 ± 0.0011 Å
• b: 9.1071 ± 0.0011 Å
• c: 28.951 ± 0.003 Å
• α: 90°
• β: 92.176 ± 0.01°
• γ: 90°
• Cell volume: 1765.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1457
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No