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Information card for entry 7059187
Preview
| Coordinates | 7059187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H20 O S |
|---|---|
| Calculated formula | C27 H20 O S |
| Title of publication | Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors |
| Authors of publication | Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 3 |
| Pages of publication | 845 - 851 |
| a | 5.2279 ± 0.001 Å |
| b | 19.702 ± 0.004 Å |
| c | 18.914 ± 0.004 Å |
| α | 90° |
| β | 96.686 ± 0.006° |
| γ | 90° |
| Cell volume | 1934.9 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2334 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059187.cif |
| 257906 | 2020-10-06 | cif/ Updating files of 7059186, 7059187, 7059188 Original log message: Adding full bibliography for 7059186--7059188.cif. |
7059187.cif |
| 247798 | 2020-02-04 | cif/ Updating files of 7059186, 7059187, 7059188 Original log message: Adding full bibliography for 7059186--7059188.cif. |
7059187.cif |
| 246391 | 2020-01-01 | cif/ Adding structures of 7059186, 7059187, 7059188 via cif-deposit CGI script. |
7059187.cif |
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Users of the data should acknowledge the original authors of the
structural data.