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Information card for entry 2023507
Preview
| Coordinates | 2023507.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Mtdp, 1,5-diphenyl-3-thiapentane-1,5-dione |
|---|---|
| Chemical name | 2-[(2-Oxo-2-phenylethyl)sulfanyl]-1-phenylethan-1-one |
| Formula | C16 H14 O2 S |
| Calculated formula | C16 H14 O2 S |
| Title of publication | Some thioether-ketones and their related derivatives |
| Authors of publication | O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 13.1307 ± 0.0003 Å |
| b | 5.0945 ± 0.0001 Å |
| c | 19.2847 ± 0.0005 Å |
| α | 90° |
| β | 93.167 ± 0.002° |
| γ | 90° |
| Cell volume | 1288.07 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299654 (current) | 2025-05-14 | cif/ Adding structures of 2023506, 2023507, 2023508, 2023509, 2023510 via cif-deposit CGI script. |
2023507.cif |
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Users of the data should acknowledge the original authors of the
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