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Information card for entry 1552972
Preview
| Coordinates | 1552972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 B Br O P |
|---|---|
| Calculated formula | C17 H21 B Br O P |
| Title of publication | Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds |
| Authors of publication | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | 541 |
| a | 6.4951 ± 0.0015 Å |
| b | 9.549 ± 0.002 Å |
| c | 15.501 ± 0.004 Å |
| α | 81.333 ± 0.005° |
| β | 86.707 ± 0.005° |
| γ | 74.351 ± 0.005° |
| Cell volume | 915 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232918 (current) | 2019-11-23 | cif/ Adding structures of 1552972, 1552973, 1552974 via cif-deposit CGI script. |
1552972.cif |
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Users of the data should acknowledge the original authors of the
structural data.