Information card for entry 4110073

Structure parameters

• Formula: C20 H27 N O4
• Calculated formula: C20 H27 N O4
• SMILES: O(N1[C@@H]([C@@H](OC(=O)C(C)(C)C)CCC1=O)CC=C)Cc1ccccc1.O(N1[C@H]([C@H](OC(=O)C(C)(C)C)CCC1=O)CC=C)Cc1ccccc1
• Title of publication: Multicomponent Radical Processes: Synthesis of Substituted Piperidinones
• Authors of publication: Edouard Godineau; Yannick Landais
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12662 - 12663
• a: 6.1617 ± 0.0009 Å
• b: 9.7621 ± 0.0015 Å
• c: 16.39 ± 0.003 Å
• α: 75.69 ± 0.012°
• β: 80.24 ± 0.012°
• γ: 80.226 ± 0.012°
• Cell volume: 933 ± 0.3 ų
• Cell temperature: 94 ± 1 K
• Ambient diffraction temperature: 94 ± 1 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: 0.0696
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No