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Information card for entry 7112221
Preview
| Coordinates | 7112221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H12 N2 O2 S |
|---|---|
| Calculated formula | C22 H12 N2 O2 S |
| SMILES | S1(=O)(=O)N=C2C(=N1)c1c3ccccc3ccc1c1ccc3ccccc3c21 |
| 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 | 15.341 ± 0.006 Å |
| b | 8.425 ± 0.003 Å |
| c | 23.966 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3098 ± 2 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.2642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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