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Information card for entry 7157760
Preview
| Coordinates | 7157760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N O |
|---|---|
| Calculated formula | C23 H17 N O |
| SMILES | O=C(C(=C(c1ccc(cc1)C#N)\C)\c1ccccc1)c1ccccc1 |
| Title of publication | Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates |
| Authors of publication | Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 45 |
| Pages of publication | 9253 - 9260 |
| a | 8.8725 ± 0.0004 Å |
| b | 11.6847 ± 0.0005 Å |
| c | 16.8773 ± 0.0008 Å |
| α | 90° |
| β | 102.266 ± 0.002° |
| γ | 90° |
| Cell volume | 1709.77 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0679 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.266 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259446 (current) | 2020-12-02 | cif/ Adding structures of 7157760 via cif-deposit CGI script. |
7157760.cif |
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Users of the data should acknowledge the original authors of the
structural data.