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Information card for entry 1565369
Preview
| Coordinates | 1565369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Cl4 N2 O S |
|---|---|
| Calculated formula | C14 H8 Cl4 N2 O S |
| Title of publication | A short, versatile route towards benzothiadiazinyl radicals. |
| Authors of publication | Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M. |
| Journal of publication | Chemical science |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 149 - 158 |
| a | 7.10603 ± 0.00016 Å |
| b | 7.22142 ± 0.00017 Å |
| c | 15.6955 ± 0.0004 Å |
| α | 83.2406 ± 0.0019° |
| β | 78.4301 ± 0.0019° |
| γ | 71.106 ± 0.002° |
| Cell volume | 745.33 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288248 (current) | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
1565369.cif |
| 272564 | 2022-02-04 | cif/ Updating files of 1565368, 1565369, 1565370, 1565371, 1565372, 1565373, 1565374, 1565375, 1565376, 1565377, 1565378, 1565379, 1565380, 1565381, 1565382, 1565383, 1565384, 1565385 Original log message: Adding full bibliography for 1565368--1565385.cif. |
1565369.cif |
| 270841 | 2021-11-24 | cif/ Adding structures of 1565368, 1565369, 1565370, 1565371, 1565372, 1565373, 1565374, 1565375, 1565376, 1565377, 1565378, 1565379, 1565380, 1565381, 1565382, 1565383, 1565384, 1565385 via cif-deposit CGI script. |
1565369.cif |
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Users of the data should acknowledge the original authors of the
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