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Information card for entry 8104750
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| Coordinates | 8104750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | thioxanthen-9-one-10,10-dioxide |
|---|---|
| Chemical name | thioxanthen-9-one-10,10-dioxide |
| Formula | C13 H8 O3 S |
| Calculated formula | C13 H8 O3 S |
| Title of publication | The crystal structure of thioxanthen-9-one-10,10-dioxide, C13H8O3S – a second polymorph |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 503 - 505 |
| a | 9.7499 ± 0.0003 Å |
| b | 12.9758 ± 0.0004 Å |
| c | 8.2681 ± 0.0003 Å |
| α | 90° |
| β | 103.784 ± 0.002° |
| γ | 90° |
| Cell volume | 1015.9 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273661 (current) | 2022-03-11 | cif/ Adding structures of 8104750 via cif-deposit CGI script. |
8104750.cif |
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Users of the data should acknowledge the original authors of the
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