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Information card for entry 7156616
Preview
| Coordinates | 7156616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N O3 S |
|---|---|
| Calculated formula | C16 H11 N O3 S |
| Title of publication | Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines. |
| Authors of publication | McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 622 - 638 |
| a | 7.342 ± 0.002 Å |
| b | 8.954 ± 0.003 Å |
| c | 11.714 ± 0.003 Å |
| α | 70.226 ± 0.009° |
| β | 83.607 ± 0.009° |
| γ | 72.23 ± 0.009° |
| Cell volume | 690.1 ± 0.4 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225308 (current) | 2019-11-08 | cif/ Updating files of 7156612, 7156613, 7156614, 7156615, 7156616 Original log message: Adding full bibliography for 7156612--7156616.cif. |
7156616.cif |
| 212574 | 2018-12-13 | cif/ Adding structures of 7156612, 7156613, 7156614, 7156615, 7156616 via cif-deposit CGI script. |
7156616.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.