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Information card for entry 1547609
Preview
| Coordinates | 1547609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H35 S |
|---|---|
| Calculated formula | C33 H35 S |
| Title of publication | Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells |
| Authors of publication | Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua |
| Journal of publication | Macromolecules |
| Year of publication | 2017 |
| Journal volume | 50 |
| Journal issue | 20 |
| Pages of publication | 7984 |
| a | 8.9555 ± 0.0009 Å |
| b | 11.3673 ± 0.0011 Å |
| c | 13.8592 ± 0.0014 Å |
| α | 99.556 ± 0.002° |
| β | 93.199 ± 0.002° |
| γ | 101.959 ± 0.002° |
| Cell volume | 1355.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1231 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.2578 |
| Weighted residual factors for all reflections included in the refinement | 0.2967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1547609.cif |
| 203997 | 2017-12-05 | cif/ Updating files of 1547609, 1547610 Original log message: Adding full bibliography for 1547609--1547610.cif. |
1547609.cif |
| 201832 | 2017-10-07 | cif/ Adding structures of 1547609 via cif-deposit CGI script. |
1547609.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.