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Information card for entry 7112223
Preview
| Coordinates | 7112223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N3 O2 S |
|---|---|
| Calculated formula | C30 H32 N3 O2 S |
| SMILES | S1(=O)(=O)N=C2c3c4ccccc4ccc3c3ccc4ccccc4c3C2=N1.[N+](CC)(CC)(CC)CC |
| Title of publication | Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics |
| Authors of publication | Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4178 |
| a | 10.225 ± 0.003 Å |
| b | 11.268 ± 0.003 Å |
| c | 12.197 ± 0.003 Å |
| α | 109.697 ± 0.004° |
| β | 105.927 ± 0.0018° |
| γ | 92.225 ± 0.003° |
| Cell volume | 1258.8 ± 0.6 Å3 |
| Cell temperature | 173.1 K |
| Ambient diffraction temperature | 173.1 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 significantly intense reflections | 0.0414 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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