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Information card for entry 7154567
Preview
| Coordinates | 7154567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H10 N2 O2 S4 |
|---|---|
| Calculated formula | C10 H10 N2 O2 S4 |
| SMILES | C1(=O)N(CC)C(=S)/C(S1)=C1\SC(=O)N(CC)C1=S |
| Title of publication | Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. |
| Authors of publication | Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 31 |
| Pages of publication | 8479 - 8486 |
| a | 6.8237 ± 0.0005 Å |
| b | 8.5474 ± 0.0007 Å |
| c | 22.3448 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1303.26 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154567.cif |
| 153274 | 2015-08-08 | cif/ Updating files of 7154565, 7154566, 7154567, 7154568, 7154569, 7154570, 7154571 Original log message: Adding full bibliography for 7154565--7154571.cif. |
7154567.cif |
| 139940 | 2015-07-03 | cif/ Adding structures of 7154565, 7154566, 7154567, 7154568, 7154569, 7154570, 7154571 via cif-deposit CGI script. |
7154567.cif |
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Users of the data should acknowledge the original authors of the
structural data.