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Information card for entry 4003205
Preview
| Coordinates | 4003205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NTz2T |
|---|---|
| Chemical name | NTz2T |
| Formula | C20 H12 N4 S4 |
| Calculated formula | C20 H12 N4 S4 |
| SMILES | c12nsnc1c(cc1c3c(c(cc21)c1cc(cs1)C)nsn3)c1cc(cs1)C |
| Title of publication | Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers |
| Authors of publication | Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 6558 |
| a | 11.7955 ± 0.0015 Å |
| b | 8.5619 ± 0.0009 Å |
| c | 18.814 ± 0.002 Å |
| α | 90° |
| β | 106.722 ± 0.0013° |
| γ | 90° |
| Cell volume | 1819.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.745 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231426 (current) | 2019-11-22 | cif/ Adding structures of 4003205 via cif-deposit CGI script. |
4003205.cif |
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Users of the data should acknowledge the original authors of the
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