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Information card for entry 7218267
Preview
| Coordinates | 7218267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(BEDT-TTF)ethyl thiophene-2-carboxylate |
|---|---|
| Formula | C17 H14 O2 S9 |
| Calculated formula | C17 H14 O2 S9 |
| Title of publication | A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors |
| Authors of publication | Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10235 |
| a | 37.303 ± 0.0017 Å |
| b | 8.9433 ± 0.0004 Å |
| c | 12.9288 ± 0.0006 Å |
| α | 90° |
| β | 100.327 ± 0.002° |
| γ | 90° |
| Cell volume | 4243.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180513 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82. |
7218267.cif |
| 126359 | 2014-11-06 | cif/ Updating files of 7218267, 7218268 Original log message: Adding full bibliography for 7218267--7218268.cif. |
7218267.cif |
| 124289 | 2014-09-27 | cif/ Adding structures of 7218267, 7218268 via cif-deposit CGI script. |
7218267.cif |
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Users of the data should acknowledge the original authors of the
structural data.