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Information card for entry 7057421
Preview
| Coordinates | 7057421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 Br N3 O2 |
|---|---|
| Calculated formula | C15 H22 Br N3 O2 |
| 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 | 5.5616 ± 0.0001 Å |
| b | 14.0149 ± 0.0004 Å |
| c | 20.3191 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1583.78 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| 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 |
|---|---|---|---|
| 207710 (current) | 2018-05-09 | cif/ Adding structures of 7057421, 7057422, 7057423, 7057424, 7057425, 7057426 via cif-deposit CGI script. |
7057421.cif |
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Users of the data should acknowledge the original authors of the
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