Information card for entry 4113767

Structure parameters

• Common name: compound 2e
• Formula: C16 H22 N2 O
• Calculated formula: C16 H22 N2 O
• SMILES: N1(C(C=CCC1)C(C)(C)C)NC(=O)c1ccccc1
• Title of publication: Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines
• Authors of publication: Claude Legault; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6360 - 6361
• a: 8.849 ± 0.003 Å
• b: 17.062 ± 0.015 Å
• c: 9.952 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections: 0.953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No