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Information card for entry 4102729
Preview
| Coordinates | 4102729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C6-BDTEs |
|---|---|
| Chemical name | C6-BDTEs |
| Formula | C28 H30 N2 O4 S2 |
| Calculated formula | C28 H30 N2 O4 S2 |
| SMILES | C1(/C=C2C(s1)=CC1=C/C(=C(\C#N)C(=O)OCCCCCC)SC1=C2)=C(/C#N)C(=O)OCCCCCC |
| Title of publication | ((Alkyloxy)carbonyl)cyanomethylene-Substituted Thienoquinoidal Compounds: a New Class of Soluble n-Channel Organic Semiconductors for Air-Stable Organic Field-Effect Transistors |
| Authors of publication | Yuki Suzuki; Eigo Miyazaki; Kazuo Takimiya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10453 - 10466 |
| a | 4.755 ± 0.0013 Å |
| b | 36.91 ± 0.01 Å |
| c | 7.954 ± 0.002 Å |
| α | 90 ± 0.004° |
| β | 105.846 ± 0.004° |
| γ | 90 ± 0.004° |
| Cell volume | 1342.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1328 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178773 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27. |
4102729.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102729.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102729.cif |
| 25646 | 2011-09-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4102729 via cif-deposit CGI script. |
4102729.cif |
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Users of the data should acknowledge the original authors of the
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