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Information card for entry 1557016
Preview
| Coordinates | 1557016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,4-diethynyl-2,5-bis(hexyloxy)benzene |
|---|---|
| Formula | C22 H30 O2 |
| Calculated formula | C22 H30 O2 |
| SMILES | C#Cc1c(cc(C#C)c(c1)OCCCCCC)OCCCCCC |
| Title of publication | Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface |
| Authors of publication | Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 1572 - 1579 |
| a | 9.223 ± 0.004 Å |
| b | 6.718 ± 0.003 Å |
| c | 15.694 ± 0.007 Å |
| α | 90° |
| β | 90.983 ± 0.007° |
| γ | 90° |
| Cell volume | 972.3 ± 0.7 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| 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 | 0.0927 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.251 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557016.cif |
| 257947 | 2020-10-06 | cif/ Updating files of 1557016 Original log message: Adding full bibliography for 1557016.cif. |
1557016.cif |
| 249058 | 2020-03-05 | cif/ Updating files of 1557016 Original log message: Adding full bibliography for 1557016.cif. |
1557016.cif |
| 246769 | 2020-01-13 | cif/ Adding structures of 1557016 via cif-deposit CGI script. |
1557016.cif |
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Users of the data should acknowledge the original authors of the
structural data.