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Information card for entry 4000983
Preview
| Coordinates | 4000983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C12-BSBS |
|---|---|
| Chemical name | C12-BSBS |
| Formula | C38 H56 Se2 |
| Calculated formula | C38 H56 Se2 |
| SMILES | CCCCCCCCCCCCc1ccc2c(c1)[se]c1c2[se]c2c1ccc(c2)CCCCCCCCCCCC |
| Title of publication | Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics |
| Authors of publication | Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 903 |
| a | 74.517 ± 0.012 Å |
| b | 4.4014 ± 0.0007 Å |
| c | 10.6926 ± 0.0019 Å |
| α | 90 ± 0.002° |
| β | 94.5 ± 0.003° |
| γ | 90 ± 0.002° |
| Cell volume | 3496.1 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0916 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000983.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000983.cif |
| 38862 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4000981, 4000982, 4000983, 4000984 via cif-deposit CGI script. |
4000983.cif |
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Users of the data should acknowledge the original authors of the
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