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Information card for entry 7206352
Preview
| Coordinates | 7206352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H21 Br2 N |
|---|---|
| Calculated formula | C22 H21 Br2 N |
| Title of publication | The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics |
| Authors of publication | Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 32 |
| Pages of publication | 11800 |
| a | 7.074 ± 0.0003 Å |
| b | 10.1883 ± 0.0004 Å |
| c | 13.977 ± 0.0005 Å |
| α | 80.255 ± 0.003° |
| β | 87.742 ± 0.003° |
| γ | 89.718 ± 0.003° |
| Cell volume | 992.04 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7206352.cif |
| 180394 | 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 7/20/63. |
7206352.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206352.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206352.cif |
| 23717 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206352, 7206353 via cif-deposit CGI script. |
7206352.cif |
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Users of the data should acknowledge the original authors of the
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