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Information card for entry 7058163
Preview
| Coordinates | 7058163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1 |
|---|---|
| Formula | C21 H18 F N3 O |
| Calculated formula | C21 H18 F N3 O |
| Title of publication | Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides |
| Authors of publication | Chen, Yuan; Fuyue, Liuting; Wang, Gangqiang; Wang, Hang; Lu, Chun; Guo, Haibing; St. Amant, Chiara; Sun, Shaofa; Xing, Yalan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 11 |
| Pages of publication | 4329 |
| a | 9.1744 ± 0.0002 Å |
| b | 23.9422 ± 0.0005 Å |
| c | 16.3375 ± 0.0004 Å |
| α | 90° |
| β | 91.446 ± 0.002° |
| γ | 90° |
| Cell volume | 3587.48 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1358 |
| Residual factor for significantly intense reflections | 0.1235 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.2295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| 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 |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058163.cif |
| 224975 | 2019-11-08 | cif/ Updating files of 7058163, 7058164 Original log message: Adding full bibliography for 7058163--7058164.cif. |
7058163.cif |
| 213591 | 2019-02-10 | cif/ Adding structures of 7058163, 7058164 via cif-deposit CGI script. |
7058163.cif |
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Users of the data should acknowledge the original authors of the
structural data.