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Information card for entry 4514455
Preview
| Coordinates | 4514455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 N2 S4 |
|---|---|
| Calculated formula | C18 H14 N2 S4 |
| SMILES | c12c3c(c4c(n3CC)ccs4)sc1c1c(c3c(n1CC)ccs3)s2 |
| Title of publication | Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics. |
| Authors of publication | Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 21756 - 21765 |
| a | 8.5058 ± 0.0002 Å |
| b | 13.0542 ± 0.0003 Å |
| c | 7.9663 ± 0.0002 Å |
| α | 90° |
| β | 104.207 ± 0.003° |
| γ | 90° |
| Cell volume | 857.5 ± 0.04 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514455.cif |
| 219644 | 2019-10-28 | cif/ Adding structures of 4514455 via cif-deposit CGI script. |
4514455.cif |
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Users of the data should acknowledge the original authors of the
structural data.