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Information card for entry 1547580
Preview
| Coordinates | 1547580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 F N O3 |
|---|---|
| Calculated formula | C15 H20 F N O3 |
| SMILES | c1(ccc(cc1)F)[C@H]([C@H](C=C)NC(=O)OC(C)(C)C)O |
| Title of publication | Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile. |
| Authors of publication | Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4876 - 4879 |
| a | 5.0624 ± 0.0007 Å |
| b | 10.961 ± 0.003 Å |
| c | 26.361 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1462.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.0859 |
| Weighted residual factors for significantly intense reflections | 0.206 |
| Weighted residual factors for all reflections included in the refinement | 0.2259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201731 (current) | 2017-10-05 | cif/ Adding structures of 1547580 via cif-deposit CGI script. |
1547580.cif |
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Users of the data should acknowledge the original authors of the
structural data.