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Information card for entry 4038402
Preview
| Coordinates | 4038402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 N4 O4 S |
|---|---|
| Calculated formula | C17 H18 N4 O4 S |
| Title of publication | Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds. |
| Authors of publication | Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 6.3496 ± 0.0001 Å |
| b | 9.8492 ± 0.0002 Å |
| c | 29.5775 ± 0.0007 Å |
| α | 90° |
| β | 92.445 ± 0.001° |
| γ | 90° |
| Cell volume | 1848.05 ± 0.06 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252260 (current) | 2020-05-22 | cif/ Adding structures of 4038402 via cif-deposit CGI script. |
4038402.cif |
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Users of the data should acknowledge the original authors of the
structural data.