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Information card for entry 7158381
Preview
| Coordinates | 7158381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,5-dimethyl-3-pyridyl-oxoverdazyl |
|---|---|
| Chemical name | 1,5-dimethyl-3-pyridyl-oxoverdazyl |
| Formula | C9 H13 N5 O |
| Calculated formula | C9 H13 N5 O |
| SMILES | O=C1N(NC(NN1C)c1ncccc1)C |
| Title of publication | Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents. |
| Authors of publication | Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 46 |
| Pages of publication | 10120 - 10138 |
| a | 19.7981 ± 0.0003 Å |
| b | 7.6021 ± 0.0001 Å |
| c | 16.1604 ± 0.0003 Å |
| α | 90° |
| β | 124.601 ± 0.002° |
| γ | 90° |
| Cell volume | 2002.05 ± 0.07 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271222 (current) | 2021-12-07 | cif/ Updating files of 7158376, 7158377, 7158378, 7158379, 7158380, 7158381, 7158382, 7158383, 7158384 Original log message: Adding full bibliography for 7158376--7158384.cif. |
7158381.cif |
| 270194 | 2021-11-02 | cif/ Adding structures of 7158376, 7158377, 7158378, 7158379, 7158380, 7158381, 7158382, 7158383, 7158384 via cif-deposit CGI script. |
7158381.cif |
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Users of the data should acknowledge the original authors of the
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