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Information card for entry 7128944
Preview
| Coordinates | 7128944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 Br O5 |
|---|---|
| Calculated formula | C19 H15 Br O5 |
| Title of publication | NHC-catalyzed enantioselective C2-functionalization of 3-hydroxychromenones <i>via</i> α,β-unsaturated acyl azoliums. |
| Authors of publication | Dzieszkowski, Krzysztof; Słotwiński, Michał; Rafińska, Katarzyna; Muzioł, Tadeusz M; Rafiński, Zbigniew |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 78 |
| Pages of publication | 9999 - 10002 |
| a | 17.401 ± 0.008 Å |
| b | 5.9984 ± 0.0013 Å |
| c | 18.889 ± 0.006 Å |
| α | 90° |
| β | 115.06 ± 0.05° |
| γ | 90° |
| Cell volume | 1786 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1233 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269602 (current) | 2021-10-06 | cif/ Updating files of 7128944 Original log message: Adding full bibliography for 7128944.cif. |
7128944.cif |
| 269035 | 2021-09-08 | cif/ Adding structures of 7128944 via cif-deposit CGI script. |
7128944.cif |
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Users of the data should acknowledge the original authors of the
structural data.