Information card for entry 7226062

Structure parameters

• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• SMILES: O=C1[C@@H]2[C@]3(N[C@H]([C@H]1C=CC=C2)c1ccccc1)C(=O)OCC3.O=C1[C@H]2[C@@]3(N[C@@H]([C@@H]1C=CC=C2)c1ccccc1)C(=O)OCC3
• Title of publication: Ag-Catalyzed Diastereoselective [6+3] Cycloaddition of Tropone with Homoserine Lactone-Derived Azomethine Ylides: Synthesis of Tricyclic Spiropiperidine
• Authors of publication: Guo, Hongchao; Wu, Yang; Liu, Honglei; Zhang, Lei; Sun, Zhanhu; Xiao, Yumei; Huang, Jiaxing; Wang, Min
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.483 ± 0.002 Å
• b: 10.012 ± 0.002 Å
• c: 25.315 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910.4 ± 1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0828
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No