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Information card for entry 4003885
Preview
| Coordinates | 4003885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H32 N4 S4 |
|---|---|
| Calculated formula | C30 H32 N4 S4 |
| Title of publication | N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist |
| Authors of publication | Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 6 |
| Pages of publication | 2218 - 2228 |
| a | 4.6536 ± 0.0005 Å |
| b | 16.9349 ± 0.0016 Å |
| c | 18.5594 ± 0.0018 Å |
| α | 108.705 ± 0.001° |
| β | 94.538 ± 0.001° |
| γ | 97.258 ± 0.001° |
| Cell volume | 1363.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003885.cif |
| 263593 | 2021-04-04 | cif/ Updating files of 4003884, 4003885 Original log message: Adding full bibliography for 4003884--4003885.cif. |
4003885.cif |
| 262946 | 2021-03-10 | cif/ Adding structures of 4003885 via cif-deposit CGI script. |
4003885.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.