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Information card for entry 7156920
Preview
| Coordinates | 7156920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate |
|---|---|
| Formula | C10 H17 N3 O2 |
| Calculated formula | C10 H17 N3 O2 |
| Title of publication | Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles. |
| Authors of publication | Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 6566 - 6569 |
| a | 9.7186 ± 0.0003 Å |
| b | 11.7583 ± 0.0004 Å |
| c | 20.8375 ± 0.0006 Å |
| α | 90° |
| β | 96.0696 ± 0.001° |
| γ | 90° |
| Cell volume | 2367.84 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156920.cif |
| 225069 | 2019-11-08 | cif/ Updating files of 7156920, 7156921 Original log message: Adding full bibliography for 7156920--7156921.cif. |
7156920.cif |
| 216045 | 2019-06-18 | cif/ Adding structures of 7156920, 7156921 via cif-deposit CGI script. |
7156920.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.