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Information card for entry 4514621
Preview
| Coordinates | 4514621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H16 N2 O3 |
|---|---|
| Calculated formula | C18 H16 N2 O3 |
| Title of publication | Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes |
| Authors of publication | Yang, Hui; Wei, Guo; Jiang, Zhiyong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9599 |
| a | 11.4615 ± 0.0014 Å |
| b | 5.5002 ± 0.0006 Å |
| c | 12.6887 ± 0.0013 Å |
| α | 90° |
| β | 105.131 ± 0.012° |
| γ | 90° |
| Cell volume | 772.17 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514621.cif |
| 219806 | 2019-10-28 | cif/ Adding structures of 4514621 via cif-deposit CGI script. |
4514621.cif |
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Users of the data should acknowledge the original authors of the
structural data.