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Information card for entry 2023508
Preview
| Coordinates | 2023508.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Prpsb, 1,10-bis(2'-pyridylhydrazono)-3,8-dithia-1,10-diphenyldecane |
|---|---|
| Chemical name | 2-[(2<i>E</i>,12<i>E</i>)-3,12-Diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine |
| Formula | C30 H32 N6 S2 |
| Calculated formula | C30 H32 N6 S2 |
| 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 | 5.3442 ± 0.0004 Å |
| b | 24.9746 ± 0.0018 Å |
| c | 10.3552 ± 0.0007 Å |
| α | 90° |
| β | 99.789 ± 0.003° |
| γ | 90° |
| Cell volume | 1361.98 ± 0.17 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2023508.cif |
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Users of the data should acknowledge the original authors of the
structural data.