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Information card for entry 7223944
Preview
| Coordinates | 7223944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Cl2 N4 O2 S3 |
|---|---|
| Calculated formula | C26 H28 Cl2 N4 O2 S3 |
| Title of publication | Synthesis and properties of pteridine-2,4-dione-functionalised oligothiophenes |
| Authors of publication | Wiles, Alan A.; Fitzpatrick, Brian; McDonald, Niall A.; Westwater, Mary Margaret; Long, De-Liang; Ebenhoch, Bernd; Rotello, Vincent M.; Samuel, Ifor D. W.; Cooke, Graeme |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 7999 |
| a | 14.3594 ± 0.0003 Å |
| b | 22.1059 ± 0.0005 Å |
| c | 8.8264 ± 0.0002 Å |
| α | 90° |
| β | 104.71 ± 0.002° |
| γ | 90° |
| Cell volume | 2709.91 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174612 (current) | 2016-01-20 | cif/ Adding structures of 7223944, 7223945 via cif-deposit CGI script. |
7223944.cif |
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Users of the data should acknowledge the original authors of the
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