Information card for entry 1576893

Structure parameters

• Formula: C15 H23 N O3
• Calculated formula: C15 H23 N O3
• Title of publication: Solvent-controlled, chemodivergent oxidative anionic Fries rearrangement of <i>O</i>-aryl carbamates under aerobic conditions.
• Authors of publication: Gnavi, Riccardo; De Nardi, Federica; Meazzo, Carolina; Ghinato, Simone; Grimaldi, Ettore; Maranzana, Andrea; Prandi, Cristina; Blangetti, Marco
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 5701 - 5711
• a: 9.4288 ± 0.0005 Å
• b: 12.6625 ± 0.0007 Å
• c: 13.1745 ± 0.0007 Å
• α: 90°
• β: 95.224 ± 0.005°
• γ: 90°
• Cell volume: 1566.4 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1034
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No