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Information card for entry 7155726
Preview
| Coordinates | 7155726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 Cl N4 O |
|---|---|
| Calculated formula | C12 H13 Cl N4 O |
| Title of publication | Copper (I) Catalyzed Oxidative Hydrolysis of Ugi 3-Component and Ugi-Azide Reaction Products Towards 2o α-Ketoamides and α-Ketotetrazoles |
| Authors of publication | Collet, Jurrien; Foley, Christopher; Shaw, Arthur Y.; Orru, Romano; Ruijter, E.; Hulme, Christopher |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 7.6687 ± 0.0009 Å |
| b | 9.7813 ± 0.0011 Å |
| c | 9.8658 ± 0.0011 Å |
| α | 116.485 ± 0.003° |
| β | 91.631 ± 0.003° |
| γ | 102.325 ± 0.003° |
| Cell volume | 640.6 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198276 (current) | 2017-06-30 | cif/ Adding structures of 7155726 via cif-deposit CGI script. |
7155726.cif |
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Users of the data should acknowledge the original authors of the
structural data.