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Information card for entry 1570533
Preview
| Coordinates | 1570533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O |
|---|---|
| Calculated formula | C20 H18 N2 O |
| Title of publication | Electrochemical assembly of isoxazoles <i>via</i> a four-component domino reaction. |
| Authors of publication | Zhao, Yuanyuan; Li, Xinyue; Homölle, Simon L; Wang, Bin; Ackermann, Lutz |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1117 - 1122 |
| a | 6.00483 ± 0.00006 Å |
| b | 7.13118 ± 0.0001 Å |
| c | 37.8376 ± 0.0004 Å |
| α | 90° |
| β | 91.6595 ± 0.0009° |
| γ | 90° |
| Cell volume | 1619.58 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 289430 (current) | 2024-02-04 | cif/ Updating files of 1570533 Original log message: Adding full bibliography for 1570533.cif. |
1570533.cif |
| 288226 | 2023-12-12 | cif/ Adding structures of 1570533 via cif-deposit CGI script. |
1570533.cif |
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Users of the data should acknowledge the original authors of the
structural data.