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Information card for entry 7236287
Preview
| Coordinates | 7236287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 Cl N2 O3 |
|---|---|
| Calculated formula | C24 H23 Cl N2 O3 |
| Title of publication | Facile access to novel 1,2,4-oxadiazinan-5-ones via [3 + 3] cycloaddition of in situ generated azaoxyallyl cations with nitrones |
| Authors of publication | Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Feng, Ning-Ning; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Du, Juan |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 21 |
| Pages of publication | 12916 |
| a | 22.15 ± 0.004 Å |
| b | 5.97 ± 0.001 Å |
| c | 15.611 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2064.3 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236287.cif |
| 235353 | 2019-11-23 | cif/ Adding structures of 7236287 via cif-deposit CGI script. |
7236287.cif |
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Users of the data should acknowledge the original authors of the
structural data.