Information card for entry 1514690

Structure parameters

• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• SMILES: O(C(C)(C)C)C(=O)N1CC(c2ccccc2)CCC1
• Title of publication: Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines
• Authors of publication: Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 2241
• a: 8.796 ± 0.001 Å
• b: 8.8679 ± 0.0007 Å
• c: 10.3885 ± 0.0009 Å
• α: 75.311 ± 0.007°
• β: 80.306 ± 0.009°
• γ: 71.263 ± 0.01°
• Cell volume: 738.95 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0742
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections: 0.1963
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9627
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No