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Information card for entry 7130287
Preview
| Coordinates | 7130287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 N2 O3 |
|---|---|
| Calculated formula | C21 H22 N2 O3 |
| SMILES | O[C@@H](C[C@H]1[C@@]2(N(=O)=O)CN(CC=C2)Cc2ccccc12)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 | 10.3484 ± 0.0002 Å |
| b | 10.5112 ± 0.0002 Å |
| c | 16.0533 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1746.18 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276293 (current) | 2022-06-28 | cif/ Adding structures of 7130286, 7130287, 7130288 via cif-deposit CGI script. |
7130287.cif |
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