Information card for entry 7159083

Structure parameters

• Formula: C23 H36 N2 O3 Si
• Calculated formula: C23 H36 N2 O3 Si
• SMILES: [Si](O[C@H]1CCN([C@@H]1c1c[nH]c2c1cccc2)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C
• Title of publication: AgSbF₆-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.
• Authors of publication: Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1303 - 1315
• a: 6.786 ± 0.002 Å
• b: 15.114 ± 0.005 Å
• c: 24.774 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No