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Information card for entry 1515429
Preview
| Coordinates | 1515429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H53 N O2 Si2 |
|---|---|
| Calculated formula | C44 H53 N O2 Si2 |
| Title of publication | A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells |
| Authors of publication | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 363 |
| a | 7.3935 ± 0.0002 Å |
| b | 7.7475 ± 0.0002 Å |
| c | 17.3713 ± 0.0004 Å |
| α | 96.23 ± 0.001° |
| β | 100.619 ± 0.001° |
| γ | 94.648 ± 0.001° |
| Cell volume | 967.02 ± 0.04 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0826 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.19 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/1515429.html
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Users of the data should acknowledge the original authors of the
structural data.