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Information card for entry 4036984
Preview
| Coordinates | 4036984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 F3 N3 O7 S |
|---|---|
| Calculated formula | C22 H26 F3 N3 O7 S |
| Title of publication | Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines. |
| Authors of publication | Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 15 |
| Pages of publication | 6496 - 6504 |
| a | 8.2348 ± 0.0009 Å |
| b | 16.2497 ± 0.0018 Å |
| c | 18.833 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2520.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0637 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235516 (current) | 2019-11-23 | cif/ Adding structures of 4036984 via cif-deposit CGI script. |
4036984.cif |
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Users of the data should acknowledge the original authors of the
structural data.