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Information card for entry 4038852
Preview
| Coordinates | 4038852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 Br O2 |
|---|---|
| Calculated formula | C15 H11 Br O2 |
| Title of publication | TfOH-Catalyzed Cascade C-H Activation/Lactonization of Phenols with alpha-Aryl-alpha-Diazoesters: Rapid Access to alpha-Aryl Benzofuranones. |
| Authors of publication | Hu, Sha; Lu, Zuolin; Liu, Minjie; Xu, Hanlin; Wu, Jiale; Chen, Fener |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.5102 ± 0.0005 Å |
| b | 8.4541 ± 0.0005 Å |
| c | 16.722 ± 0.0009 Å |
| α | 90° |
| β | 104.133 ± 0.002° |
| γ | 90° |
| Cell volume | 1303.76 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256899 (current) | 2020-10-02 | cif/ Adding structures of 4038852 via cif-deposit CGI script. |
4038852.cif |
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