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Information card for entry 1567019
Preview
| Coordinates | 1567019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 F2 N O |
|---|---|
| Calculated formula | C12 H13 F2 N O |
| SMILES | N1C(=O)CC[C@H]1[C@H](C)c1c(F)cccc1F |
| Title of publication | Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides |
| Authors of publication | Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 7.32492 ± 0.00006 Å |
| b | 7.77679 ± 0.00005 Å |
| c | 18.6427 ± 0.00013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1061.97 ± 0.013 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0271 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275658 (current) | 2022-05-27 | cif/ Adding structures of 1567019 via cif-deposit CGI script. |
1567019.cif |
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Users of the data should acknowledge the original authors of the
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