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Information card for entry 7134719
Preview
| Coordinates | 7134719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H11 Br3 In N O2 |
|---|---|
| Calculated formula | C7 H11 Br3 In N O2 |
| Title of publication | Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from tert-butyl isocyanoacetate† |
| Authors of publication | He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.0413 ± 0.0004 Å |
| b | 20.3742 ± 0.001 Å |
| c | 8.1155 ± 0.0004 Å |
| α | 90° |
| β | 100.43 ± 0.002° |
| γ | 90° |
| Cell volume | 1307.63 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0169 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300058 (current) | 2025-06-13 | cif/ Adding structures of 7134715, 7134716, 7134717, 7134718, 7134719 via cif-deposit CGI script. |
7134719.cif |
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Users of the data should acknowledge the original authors of the
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