Information card for entry 7106315

Structure parameters

• Formula: C27 H25 N O5
• Calculated formula: C27 H25 N O5
• SMILES: N1(CCC2(C=CC(=O)C=C2)C2(C(=O)c3cc(OC)c(cc3C2)OC)C1=O)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: 15.443 ± 0.004 Å
• b: 12.425 ± 0.003 Å
• c: 11.835 ± 0.003 Å
• α: 90°
• β: 96.774 ± 0.004°
• γ: 90°
• Cell volume: 2255 ± 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: 0.2356
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No