Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7057424
Preview
| Coordinates | 7057424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 N3 O |
|---|---|
| Calculated formula | C14 H17 N3 O |
| 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 | 5.8808 ± 0.0004 Å |
| b | 12.3009 ± 0.0008 Å |
| c | 17.6105 ± 0.0011 Å |
| α | 90° |
| β | 91.401 ± 0.007° |
| γ | 90° |
| Cell volume | 1273.55 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7057424.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.