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Information card for entry 1534096
Preview
| Coordinates | 1534096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Br N O2 |
|---|---|
| Calculated formula | C16 H16 Br N O2 |
| SMILES | Brc1ccc(cc1)[C@@H]1N(C)O[C@H](CO1)c1ccccc1 |
| Title of publication | Lewis Acid Catalyzed Annulation of Nitrones with Oxiranes, Aziridines, and Thiiranes. |
| Authors of publication | Pathipati, Stalin R.; Singh, Vipender; Eriksson, Lars; Selander, Nicklas |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4506 - 4509 |
| a | 5.1904 ± 0.0007 Å |
| b | 9.7263 ± 0.0012 Å |
| c | 29.581 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1493.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160449 (current) | 2015-10-06 | cif/ Adding structures of 1534096 via cif-deposit CGI script. |
1534096.cif |
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