Information card for entry 7159551

Structure parameters

• Formula: C44 H46 N2 O8
• Calculated formula: C44 H46 N2 O8
• 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: 8.9695 ± 0.0004 Å
• b: 10.9993 ± 0.0005 Å
• c: 11.5562 ± 0.0005 Å
• α: 62.1699 ± 0.001°
• β: 79.6611 ± 0.001°
• γ: 79.0306 ± 0.001°
• Cell volume: 984.41 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No