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Information card for entry 7122210
Preview
| Coordinates | 7122210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 N O5 |
|---|---|
| Calculated formula | C20 H19 N O5 |
| Title of publication | Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles. |
| Authors of publication | Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 72 |
| Pages of publication | 10128 - 10131 |
| a | 8.2648 ± 0.0002 Å |
| b | 10.1169 ± 0.0002 Å |
| c | 10.9096 ± 0.0003 Å |
| α | 90° |
| β | 106.079 ± 0.003° |
| γ | 90° |
| Cell volume | 876.51 ± 0.04 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122210.cif |
| 228408 | 2019-11-17 | cif/ Updating files of 7122210, 7122211 Original log message: Adding full bibliography for 7122210--7122211.cif. |
7122210.cif |
| 210027 | 2018-08-22 | cif/ Adding structures of 7122210 via cif-deposit CGI script. |
7122210.cif |
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Users of the data should acknowledge the original authors of the
structural data.