Information card for entry 7130286

Structure parameters

• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• SMILES: O=N(=O)[C@]12CN(CC=C1)Cc1ccccc1[C@H]2CC(=O)c1ccccc1.O=N(=O)[C@@]12CN(CC=C1)Cc1ccccc1[C@@H]2CC(=O)c1ccccc1
• Title of publication: Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction
• Authors of publication: Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.6978 ± 0.0005 Å
• b: 7.32067 ± 0.00011 Å
• c: 12.3466 ± 0.0003 Å
• α: 90°
• β: 121.241 ± 0.003°
• γ: 90°
• Cell volume: 1754.06 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No