Information card for entry 7106314

Structure parameters

• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: N1(C2(C=CC(=O)C=C2)C(C1=O)C(=O)c1ccccc1)CC(C)C
• Title of publication: Synthesis of spirocyclic ?-keto-lactams: copper catalyzed process
• Authors of publication: Zhongxuan Xu; Kun Huang; Tong Liu; Mingjin Xie; Hongbin Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4923
• a: 15.406 ± 0.003 Å
• b: 11.1729 ± 0.0019 Å
• c: 19.3 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3322.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No