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Information card for entry 4037657
Preview
| Coordinates | 4037657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 F N4 O |
|---|---|
| Calculated formula | C19 H13 F N4 O |
| SMILES | Fc1ccc(C(=O)Nc2n(c3ncccn3)c3c(c2)cccc3)cc1 |
| 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 | 7.2982 ± 0.0006 Å |
| b | 9.6873 ± 0.0008 Å |
| c | 11.2859 ± 0.0009 Å |
| α | 103.888 ± 0.002° |
| β | 100.511 ± 0.002° |
| γ | 92.732 ± 0.002° |
| Cell volume | 758.08 ± 0.11 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245167 (current) | 2019-12-14 | cif/ Adding structures of 4037657 via cif-deposit CGI script. |
4037657.cif |
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Users of the data should acknowledge the original authors of the
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