Information card for entry 7160165

Structure parameters

• Formula: C18 H15 N O4
• Calculated formula: C18 H15 N O4
• Title of publication: Synthesis of ω-functionalized ketones from strained cyclic alcohols by ring-opening and cross-recombination between alkyl and <i>N</i>-oxyl radicals.
• Authors of publication: Budnikov, Alexander S.; Krylov, Igor B.; Shevchenko, Mikhail I.; Sokova, Lyubov' L.; Liu, Yan; Yu, Bing; Terent'ev, Alexander O.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 44
• Pages of publication: 8755 - 8763
• a: 5.2279 ± 0.0001 Å
• b: 13.8547 ± 0.0004 Å
• c: 20.134 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.33 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No