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Information card for entry 1553619
Preview
| Coordinates | 1553619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 F O |
|---|---|
| Calculated formula | C21 H17 F O |
| SMILES | Fc1ccc([C@H]2[C@@H](c3cc4c(cccc4)c4OCCc34)C2)cc1.Fc1ccc([C@@H]2[C@H](c3cc4c(cccc4)c4OCCc34)C2)cc1 |
| Title of publication | An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes |
| Authors of publication | Cao, Tongxiang; Chen, Kai; Zhu, Shifa |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 450 |
| a | 13.585 ± 0.004 Å |
| b | 12.569 ± 0.003 Å |
| c | 9.741 ± 0.003 Å |
| α | 90° |
| β | 106.741 ± 0.006° |
| γ | 90° |
| Cell volume | 1592.8 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1216 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235215 (current) | 2019-11-23 | cif/ Adding structures of 1553619, 1553620 via cif-deposit CGI script. |
1553619.cif |
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Users of the data should acknowledge the original authors of the
structural data.