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Information card for entry 1555310
Preview
| Coordinates | 1555310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 N2 O |
|---|---|
| Calculated formula | C19 H14 N2 O |
| SMILES | O=C1N2[C@@]3(c4ccccc14)[C@@](c1c2cccc1)(CCC3)C#N.O=C1N2[C@]3(c4ccccc14)[C@](c1c2cccc1)(CCC3)C#N |
| Title of publication | Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation. |
| Authors of publication | Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4838 - 4841 |
| a | 14.5086 ± 0.0013 Å |
| b | 13.0756 ± 0.0009 Å |
| c | 15.3147 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2905.3 ± 0.4 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238459 (current) | 2019-11-24 | cif/ Adding structures of 1555310 via cif-deposit CGI script. |
1555310.cif |
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Users of the data should acknowledge the original authors of the
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