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Information card for entry 1540422
Preview
| Coordinates | 1540422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 3-bromo-4-chloro-5-dodecyl-5H-thieno[2,3-f]indole-6,7-dione |
|---|---|
| Formula | C22 H27 Br Cl N O2 S |
| Calculated formula | C22 H27 Br Cl N O2 S |
| Title of publication | Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors |
| Authors of publication | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 235 |
| a | 15.2293 ± 0.0008 Å |
| b | 17.6141 ± 0.0009 Å |
| c | 19.9261 ± 0.001 Å |
| α | 110.314 ± 0.001° |
| β | 90.518 ± 0.001° |
| γ | 114.615 ± 0.001° |
| Cell volume | 4482.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1540422.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1540422.cif |
| 176209 | 2016-02-05 | cif/ Updating files of 1540421, 1540422 Original log message: Adding full bibliography for 1540421--1540422.cif. |
1540422.cif |
| 169735 | 2015-10-24 | cif/ Adding structures of 1540421, 1540422 via cif-deposit CGI script. |
1540422.cif |
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Users of the data should acknowledge the original authors of the
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