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Information card for entry 1572854
Preview
| Coordinates | 1572854.cif |
|---|---|
| Structure factors | 1572854.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | tetrakis(prop-2-en-1-yl) 2,2'-[thiene-2,5-diylbis(methanylylideneazanylylidene)] bis(5-aminothiophene-3,4-dicarboxylate) ethanol solvate |
|---|---|
| Formula | C32 H34 N4 O9 S3 |
| Calculated formula | C32 H34 N4 O9 S3 |
| Title of publication | Structural study of an electroactive allyl ester thiophenoazomethine for PDMS blending |
| Authors of publication | Mulholland, Michael E.; Filiatrault, Heather L.; Maris, Thierry; Skene, W. G. |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2025 |
| Journal volume | 1320 |
| Pages of publication | 139416-1 - 139416-8 |
| a | 11.2834 ± 0.0005 Å |
| b | 13.3905 ± 0.0005 Å |
| c | 13.4806 ± 0.0005 Å |
| α | 113.251 ± 0.002° |
| β | 105.083 ± 0.002° |
| γ | 98.375 ± 0.002° |
| Cell volume | 1734.64 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295415 (current) | 2024-10-10 | cif/ hkl/ Adding structures of 1572854 via cif-deposit CGI script. |
1572854.cif 1572854.hkl |
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Users of the data should acknowledge the original authors of the
structural data.