Information card for entry 7106313

Structure parameters

• Formula: C22 H21 N O3
• Calculated formula: C22 H21 N O3
• SMILES: N1([C@]23C=C[C@@H](O)C[C@H]2O[C@H]([C@@H]3C1=O)c1ccccc1)Cc1ccccc1.N1([C@@]23C=C[C@H](O)C[C@@H]2O[C@@H]([C@H]3C1=O)c1ccccc1)Cc1ccccc1
• 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: 8.281 ± 0.003 Å
• b: 17.475 ± 0.006 Å
• c: 12.655 ± 0.004 Å
• α: 90°
• β: 101.793 ± 0.004°
• γ: 90°
• Cell volume: 1792.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No