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Information card for entry 7206353
Preview
| Coordinates | 7206353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C28 H29 Br2 N3 O |
|---|---|
| Calculated formula | C28 H29 Br2 N3 O |
| SMILES | n1(c(nnc1c1cc(Br)ccc1)c1cc(Br)ccc1)c1ccc(cc1)OCCCCCCCC |
| 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 | 19.3994 ± 0.0004 Å |
| b | 9.571 ± 0.0002 Å |
| c | 28.8219 ± 0.0007 Å |
| α | 90° |
| β | 100.402 ± 0.002° |
| γ | 90° |
| Cell volume | 5263.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7206353.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206353.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. |
7206353.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206353.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206353.cif |
| 23717 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206352, 7206353 via cif-deposit CGI script. |
7206353.cif |
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