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Information card for entry 1568606
Preview
| Coordinates | 1568606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H8 Br N S |
|---|---|
| Calculated formula | C13 H8 Br N S |
| Title of publication | Tunable Donor–Acceptor Linear Conjugated Polymers Involving Cyanostyrylthiophene Linkages for Visible-Light-Driven Hydrogen Production |
| Authors of publication | Ye, Dongnai; Liu, Lei; Zhang, Yujie; Qiu, Jiabin; Tan, Zhirong; Xing, Yuqin; Liu, Shiyong |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 2203 |
| a | 3.9619 ± 0.0004 Å |
| b | 24.465 ± 0.002 Å |
| c | 12.6409 ± 0.0013 Å |
| α | 90° |
| β | 96.409 ± 0.009° |
| γ | 90° |
| Cell volume | 1217.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1821 |
| Residual factor for significantly intense reflections | 0.1027 |
| Weighted residual factors for significantly intense reflections | 0.2535 |
| Weighted residual factors for all reflections included in the refinement | 0.2997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281643 (current) | 2023-03-06 | cif/ Adding structures of 1568606 via cif-deposit CGI script. |
1568606.cif |
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Users of the data should acknowledge the original authors of the
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