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Information card for entry 1555439
Preview
| Coordinates | 1555439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 N O |
|---|---|
| Calculated formula | C15 H15 N O |
| SMILES | O=C1[C@](Cc2c1ccc(c2)C)(CC(=C)C)C#N |
| Title of publication | Enantioselective Synthesis of Homoallylic Azides and Nitriles via Palladium-Catalyzed Decarboxylative Allylation. |
| Authors of publication | Vita, Maria Victoria; Caramenti, Paola; Waser, Jerome |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5832 - 5835 |
| a | 7.0716 ± 0.0005 Å |
| b | 6.6011 ± 0.0003 Å |
| c | 13.3983 ± 0.001 Å |
| α | 90° |
| β | 92.659 ± 0.006° |
| γ | 90° |
| Cell volume | 624.76 ± 0.07 Å3 |
| Cell temperature | 292 K |
| Ambient diffraction temperature | 292 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238676 (current) | 2019-11-24 | cif/ Adding structures of 1555439 via cif-deposit CGI script. |
1555439.cif |
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Users of the data should acknowledge the original authors of the
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