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Information card for entry 4037656
Preview
| Coordinates | 4037656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 N4 O2 |
|---|---|
| Calculated formula | C26 H20 N4 O2 |
| SMILES | O(c1cc2c(n(c3ncccn3)c(NC(=O)c3ccccc3)c2)cc1)Cc1ccccc1 |
| Title of publication | Cp*Co(III)-Catalyzed Regioselective C2 Amidation of Indoles Using Acyl Azides. |
| Authors of publication | Shah, Tariq A.; De, Pinaki Bhusan; Pradhan, Sourav; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 8.471 ± 0.003 Å |
| b | 11.434 ± 0.005 Å |
| c | 12.271 ± 0.005 Å |
| α | 114.971 ± 0.012° |
| β | 96.921 ± 0.012° |
| γ | 95.275 ± 0.012° |
| Cell volume | 1056 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245166 (current) | 2019-12-14 | cif/ Adding structures of 4037656 via cif-deposit CGI script. |
4037656.cif |
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Users of the data should acknowledge the original authors of the
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