Information card for entry 1502207

Structure parameters

• Formula: C16 H18 N2 O5
• Calculated formula: C16 H18 N2 O5
• SMILES: c1(ccc(cc1)NC(=O)[C@@]1(C(=O)CCC1)CCC(=O)C)N(=O)=O
• Title of publication: A Cooperative Participation of the Amido Group in the Organocatalytic Construction of All-Carbon Quaternary Stereocenters by Michael Addition with β-Ketoamides
• Authors of publication: Sanchez Duque, Maria del Mar; Baslé, Olivier; Isambert, Nicolas; Gaudel-Siri, Anouk; Génisson, Yves; Plaquevent, Jean-Christophe; Rodriguez, Jean; Constantieux, Thierry
• Journal of publication: Organic Letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 3296 - 3299
• a: 10.509 Å
• b: 13.97 Å
• c: 10.942 Å
• α: 90°
• β: 103°
• γ: 90°
• Cell volume: 1565.23 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No