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Information card for entry 1520762
Preview
| Coordinates | 1520762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H23 N O4 |
|---|---|
| Calculated formula | C18 H23 N O4 |
| SMILES | O1c2ccccc2[C@@H]2[C@H](C1=O)CC[C@@](O)([C@H]2N(=O)=CCCC)C |
| Title of publication | A New Approach to Nitrones through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis. |
| Authors of publication | Lin, Cheng-Wei; Hong, Bor-Cherng; Chang, Wan-Chen; Lee, Gene-Hsiang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2314 - 2317 |
| a | 5.2667 ± 0.0002 Å |
| b | 15.2534 ± 0.0006 Å |
| c | 20.3019 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1630.95 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520762.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520762.cif |
| 140050 | 2015-07-05 | cif/ Adding structures of 1520762 via cif-deposit CGI script. |
1520762.cif |
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Users of the data should acknowledge the original authors of the
structural data.