Information card for entry 7159553

Structure parameters

• Formula: C24 H22 N2 O5
• Calculated formula: C24 H22 N2 O5
• Title of publication: The diacetyliminoxyl radical in oxidative functionalization of alkenes.
• Authors of publication: Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 7758 - 7766
• a: 11.6766 ± 0.0003 Å
• b: 15.178 ± 0.0004 Å
• c: 12.1389 ± 0.0003 Å
• α: 90°
• β: 104.95 ± 0.002°
• γ: 90°
• Cell volume: 2078.53 ± 0.09 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 100 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: 0.0707
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No