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Information card for entry 1555311
Preview
| Coordinates | 1555311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N2 O3 |
|---|---|
| Calculated formula | C21 H20 N2 O3 |
| 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 | 9.9575 ± 0.0004 Å |
| b | 10.3499 ± 0.0004 Å |
| c | 34.9584 ± 0.0014 Å |
| α | 90° |
| β | 95.625 ± 0.002° |
| γ | 90° |
| Cell volume | 3585.4 ± 0.2 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238460 (current) | 2019-11-24 | cif/ Adding structures of 1555311 via cif-deposit CGI script. |
1555311.cif |
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Users of the data should acknowledge the original authors of the
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