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Information card for entry 7205544
Preview
| Coordinates | 7205544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C43 H42 O S9 |
|---|---|
| Calculated formula | C43 H42 O S9 |
| SMILES | C1(=O)Sc2c(c(c3ccc(c4ccc(c5c(cc(C)s5)CCCCCC)s4)s3)sc2c2ccc(c3ccc(c4c(cc(C)s4)CCCCCC)s3)s2)S1 |
| Title of publication | Electronic, redox and charge transport properties of an unusual hybrid structure: a bis(septithiophene) bridged by a fused tetrathiafulvalene (TTF) |
| Authors of publication | Wright, Iain A.; Skabara, Peter J.; Forgie, John C.; Kanibolotsky, Alexander L.; González, Blanca; Coles, Simon J.; Gambino, Salvatore; Samuel, Ifor D. W. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 1462 |
| a | 18.4493 ± 0.0018 Å |
| b | 16.6052 ± 0.0016 Å |
| c | 14.1055 ± 0.0012 Å |
| α | 90° |
| β | 99.196 ± 0.004° |
| γ | 90° |
| Cell volume | 4265.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2375 |
| Residual factor for significantly intense reflections | 0.1478 |
| Weighted residual factors for significantly intense reflections | 0.2442 |
| Weighted residual factors for all reflections included in the refinement | 0.2903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| 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. |
7205544.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. |
7205544.cif |
| 180386 | 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 7/20/55. |
7205544.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205544.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205544.cif |
| 14930 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205544, 7205545 via cif-deposit CGI script. |
7205544.cif |
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Users of the data should acknowledge the original authors of the
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