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Information card for entry 1555538
Preview
| Coordinates | 1555538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | rutsbm01 |
|---|---|
| Formula | C12 H13 N O2 |
| Calculated formula | C12 H13 N O2 |
| SMILES | O=N(=C(/C=C/C=O)CC)c1ccccc1 |
| Title of publication | Dienamine-Catalyzed Nitrone Formation via Redox Reaction. |
| Authors of publication | Fraboni, Americo J.; Brenner-Moyer, Stacey E |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2146 - 2149 |
| a | 9.8079 ± 0.0017 Å |
| b | 8.8394 ± 0.0015 Å |
| c | 12.567 ± 0.002 Å |
| α | 90° |
| β | 99.596 ± 0.003° |
| γ | 90° |
| Cell volume | 1074.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| 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 | 0.0776 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238869 (current) | 2019-11-24 | cif/ Adding structures of 1555538 via cif-deposit CGI script. |
1555538.cif |
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Users of the data should acknowledge the original authors of the
structural data.