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Information card for entry 7118252
Preview
| Coordinates | 7118252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H15 N O4 |
|---|---|
| Calculated formula | C19 H15 N O4 |
| SMILES | c12ccccc1OC(=O)[C@]1([C@@H]2CN=C1c1ccccc1)C(=O)OC.c12ccccc1OC(=O)[C@@]1([C@H]2CN=C1c1ccccc1)C(=O)OC |
| Title of publication | Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides. |
| Authors of publication | Zhu, Xu; Chiba, Shunsuke |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 12 |
| Pages of publication | 2473 - 2476 |
| a | 8.3566 ± 0.0006 Å |
| b | 17.7311 ± 0.0014 Å |
| c | 10.5304 ± 0.0007 Å |
| α | 90° |
| β | 101.637 ± 0.005° |
| γ | 90° |
| Cell volume | 1528.24 ± 0.19 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1519 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.1787 |
| Weighted residual factors for all reflections included in the refinement | 0.2231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118252.cif |
| 175868 | 2016-02-04 | cif/ Updating files of 7118247, 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 Original log message: Adding full bibliography for 7118247--7118254.cif. |
7118252.cif |
| 173476 | 2016-01-05 | cif/ Adding structures of 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 via cif-deposit CGI script. |
7118252.cif |
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Users of the data should acknowledge the original authors of the
structural data.