Information card for entry 7160696

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• Title of publication: <i>O</i>-Aryl carbamates of 2-substituted piperidines: anionic Fries rearrangement and kinetic resolution by lithiation.
• Authors of publication: Marra, Francesco; Morelli, Fabrizio; De Nardi, Federica; Priola, Emanuele; Coldham, Iain; Blangetti, Marco
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 8029 - 8038
• a: 10.7494 ± 0.0004 Å
• b: 11.1404 ± 0.0003 Å
• c: 14.0361 ± 0.0005 Å
• α: 90°
• β: 105.979 ± 0.004°
• γ: 90°
• Cell volume: 1615.92 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No