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Information card for entry 7057422
Preview
| Coordinates | 7057422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 N4 |
|---|---|
| Calculated formula | C21 H22 N4 |
| Title of publication | Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions |
| Authors of publication | Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| a | 11.2501 ± 0.0008 Å |
| b | 12.752 ± 0.001 Å |
| c | 13.2943 ± 0.001 Å |
| α | 86.09 ± 0.006° |
| β | 89.456 ± 0.006° |
| γ | 67.095 ± 0.007° |
| Cell volume | 1752.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207710 (current) | 2018-05-09 | cif/ Adding structures of 7057421, 7057422, 7057423, 7057424, 7057425, 7057426 via cif-deposit CGI script. |
7057422.cif |
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Users of the data should acknowledge the original authors of the
structural data.