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Information card for entry 1552836
Preview
| Coordinates | 1552836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Br2 |
|---|---|
| Calculated formula | C16 H12 Br2 |
| SMILES | C(=C\C=C(Br)\c1ccccc1)(\Br)c1ccccc1 |
| Title of publication | Regio- and Stereoselective Polymerization of Diynes with Inorganic Comonomer: A Facile Strategy to Conjugated Poly(p-arylene dihalodiene)s with Processability and Postfunctionalizability |
| Authors of publication | Gao, Qingqing; Qiu, Zijie; Elsegood, Mark R. J.; Chen, Ming; Wang, Jianguo; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 51 |
| Journal issue | 9 |
| Pages of publication | 3497 |
| a | 8.3044 ± 0.0014 Å |
| b | 9.337 ± 0.0015 Å |
| c | 9.3521 ± 0.0016 Å |
| α | 73.731 ± 0.003° |
| β | 85.809 ± 0.003° |
| γ | 80.334 ± 0.003° |
| Cell volume | 686 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227469 (current) | 2019-11-12 | cif/ Adding structures of 1552836 via cif-deposit CGI script. |
1552836.cif |
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Users of the data should acknowledge the original authors of the
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