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Information card for entry 1544775
Preview
| Coordinates | 1544775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H36 N4 Si |
|---|---|
| Calculated formula | C44 H36 N4 Si |
| SMILES | [Si](c1ccc(c2nn(c3ccccc3)c(c3ccccc3)c2)cc1)(c1ccc(cc1)c1nn(c(c1)c1ccccc1)c1ccccc1)(C)C |
| Title of publication | Multicomponent Tandem Polymerizations of Aromatic Diynes, Terephthaloyl Chloride, and Hydrazines toward Functional Conjugated Polypyrazoles |
| Authors of publication | Tang, Xiaojuan; Zheng, Chao; Chen, Yizhao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong |
| Journal of publication | Macromolecules |
| Year of publication | 2016 |
| a | 24.4344 ± 0.0014 Å |
| b | 6.2075 ± 0.0005 Å |
| c | 30.306 ± 0.002 Å |
| α | 90° |
| β | 127.163 ± 0.004° |
| γ | 90° |
| Cell volume | 3663.2 ± 0.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189078 (current) | 2016-12-13 | cif/ Adding structures of 1544775 via cif-deposit CGI script. |
1544775.cif |
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Users of the data should acknowledge the original authors of the
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