Information card for entry 7129692

Structure parameters

• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: O1C[C@H]2N(C1=O)C=C(c1ccccc1)[C@@]1(c3c(N=C1)cccc3)C2
• Title of publication: Ag(I)/PPh3-Catalyzed Diastereoselective Syntheses of Spiro[indole-3,4'-piperidine] Derivatives via Cycloisomerizations of Tryptamine-Ynamides
• Authors of publication: Chen, Yanyu; Wang, Zhaobo; Zhao, Wutong; Sun, Shitao; Yang, Lu; Zhang, Junpeng; Zhang, Di; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.4296 ± 0.0003 Å
• b: 7.9065 ± 0.0003 Å
• c: 27.5593 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.89 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0251
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No