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Information card for entry 7129692
Preview
| Coordinates | 7129692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272886 (current) | 2022-02-10 | cif/ Adding structures of 7129692 via cif-deposit CGI script. |
7129692.cif |
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Users of the data should acknowledge the original authors of the
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