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Information card for entry 1555177
Preview
| Coordinates | 1555177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H15 N3 O3 |
|---|---|
| Calculated formula | C21 H15 N3 O3 |
| SMILES | O=C1N(C(=O)CC21N(C(=O)c1c2cccc1)c1c2ncccc2ccc1)C |
| Title of publication | Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage. |
| Authors of publication | Miura, Wataru; Hirano, Koji; Miura, Masahiro |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 4034 - 4037 |
| a | 16.334 ± 0.009 Å |
| b | 13.572 ± 0.007 Å |
| c | 7.87 ± 0.005 Å |
| α | 90° |
| β | 104.13 ± 0.03° |
| γ | 90° |
| Cell volume | 1691.9 ± 1.7 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 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 significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555177.cif |
| 238370 | 2019-11-24 | cif/ Adding structures of 1555177 via cif-deposit CGI script. |
1555177.cif |
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Users of the data should acknowledge the original authors of the
structural data.