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Information card for entry 1561233
Preview
| Coordinates | 1561233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BETz-2T(10) |
|---|---|
| Formula | C36 H48 N2 O4 S4 |
| Calculated formula | C36 H48 N2 O4 S4 |
| Title of publication | Bithiazole Dicarboxylate Ester: An Easily Accessible Electron-Deficient Building Unit for π-Conjugated Polymers Enabling Electron Transport |
| Authors of publication | Teshima, Yoshikazu; Saito, Masahiko; Mikie, Tsubasa; Komeyama, Kimihiro; Osaka, Itaru |
| Journal of publication | Macromolecules |
| Year of publication | 2021 |
| a | 9.629 ± 0.003 Å |
| b | 14.535 ± 0.004 Å |
| c | 19.083 ± 0.006 Å |
| α | 85.137 ± 0.004° |
| β | 89.812 ± 0.004° |
| γ | 83.002 ± 0.004° |
| Cell volume | 2641.3 ± 1.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263297 (current) | 2021-03-25 | cif/ Adding structures of 1561233 via cif-deposit CGI script. |
1561233.cif |
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Users of the data should acknowledge the original authors of the
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