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Information card for entry 4000702
Preview
| Coordinates | 4000702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | byproduct |
|---|---|
| Chemical name | byproduct |
| Formula | C24 H20 Cl N O2 S2 |
| Calculated formula | C24 H20 Cl N O2 S2 |
| SMILES | Clc1c(CC(=C2SC(C=C2)=C2SC(C=C2)=C(C#N)C(=O)CC)C(=O)CC)cccc1 |
| Title of publication | Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors† |
| Authors of publication | Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 3 |
| Pages of publication | 795 |
| a | 9.1985 ± 0.0011 Å |
| b | 9.5493 ± 0.0013 Å |
| c | 13.2712 ± 0.0016 Å |
| α | 75.93 ± 0.003° |
| β | 75.466 ± 0.003° |
| γ | 82.159 ± 0.003° |
| Cell volume | 1091 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1221 |
| Residual factor for significantly intense reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.2632 |
| Weighted residual factors for all reflections included in the refinement | 0.2838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71075 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. |
4000702.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000702.cif |
| 34899 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000702 via cif-deposit CGI script. |
4000702.cif |
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Users of the data should acknowledge the original authors of the
structural data.