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Information card for entry 1556369
Preview
| Coordinates | 1556369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O4 |
|---|---|
| Calculated formula | C17 H17 N O4 |
| SMILES | O(c1ccc(cc1)/C(=N/OC(=O)OCc1ccccc1)C)C |
| Title of publication | An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals |
| Authors of publication | McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 3436 |
| a | 11.892 ± 0.003 Å |
| b | 7.5168 ± 0.0013 Å |
| c | 17.092 ± 0.004 Å |
| α | 90° |
| β | 95.099 ± 0.008° |
| γ | 90° |
| Cell volume | 1521.8 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.3165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.465 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244383 (current) | 2019-11-28 | cif/ Adding structures of 1556369, 1556370 via cif-deposit CGI script. |
1556369.cif |
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Users of the data should acknowledge the original authors of the
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