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Information card for entry 7207505
Preview
| Coordinates | 7207505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H52 Si2 |
|---|---|
| Calculated formula | C44 H52 Si2 |
| Title of publication | Triisopropylsilylethynyl-functionalized dibenzo[def,mno]chrysene: a solution-processed small molecule for bulk heterojunction solar cells |
| Authors of publication | Zhang, Lei; Walker, Bright; Liu, Feng; Colella, Nicholas S.; Mannsfeld, Stefan C. B.; Watkins, James J.; Nguyen, Thuc-Quyen; Briseno, Alejandro L. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 4266 |
| a | 13.8921 ± 0.001 Å |
| b | 15.1742 ± 0.0012 Å |
| c | 35.456 ± 0.003 Å |
| α | 88.906 ± 0.006° |
| β | 79.711 ± 0.005° |
| γ | 84.143 ± 0.005° |
| Cell volume | 7315.6 ± 1 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 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 | 0.179 |
| Residual factor for significantly intense reflections | 0.1081 |
| Weighted residual factors for significantly intense reflections | 0.2499 |
| Weighted residual factors for all reflections included in the refinement | 0.2877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207505.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207505.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207505.cif |
| 37711 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207505 via cif-deposit CGI script. |
7207505.cif |
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Users of the data should acknowledge the original authors of the
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