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Information card for entry 4001578
Preview
| Coordinates | 4001578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 S4 |
|---|---|
| Calculated formula | C14 H8 S4 |
| SMILES | c1ccsc1c1cc2c(s1)cc(s2)c1cccs1 |
| Title of publication | Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes |
| Authors of publication | Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 15 |
| Pages of publication | 3470 |
| a | 5.7083 ± 0.0015 Å |
| b | 8.616 ± 0.002 Å |
| c | 13.272 ± 0.004 Å |
| α | 88.226 ± 0.006° |
| β | 77.637 ± 0.006° |
| γ | 82.068 ± 0.006° |
| Cell volume | 631.5 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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