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Information card for entry 2312790
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| Coordinates | 2312790.cif |
|---|---|
| Structure factors | 2312790.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[Bis(4-methoxyphenyl)methylidene]-5-phenyl-3H-1,2-dithiole |
|---|---|
| Formula | C24 H20 O2 S2 |
| Calculated formula | C24 H20 O2 S2 |
| Title of publication | Transformations of thiocarbonyls into alkenes via Barton-Kellogg olefination. |
| Authors of publication | Linden, Anthony; Egli, Daniel H.; Heimgartner, Heinz |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 4 |
| Pages of publication | 238 - 245 |
| a | 15.2746 ± 0.0002 Å |
| b | 6.6094 ± 0.0001 Å |
| c | 19.8754 ± 0.0003 Å |
| α | 90° |
| β | 93.5489 ± 0.0009° |
| γ | 90° |
| Cell volume | 2002.69 ± 0.05 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299515 (current) | 2025-05-03 | cif/ Updating files of 2312788, 2312789, 2312790 Original log message: Adding full bibliography for 2312788--2312790.cif. |
2312790.cif 2312790.hkl |
| 298461 | 2025-03-15 | cif/ hkl/ Adding structures of 2312788, 2312789, 2312790 via cif-deposit CGI script. |
2312790.cif 2312790.hkl |
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Users of the data should acknowledge the original authors of the
structural data.