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Information card for entry 4514228
Preview
| Coordinates | 4514228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 S3 |
|---|---|
| Calculated formula | C20 H14 S3 |
| SMILES | CCc1ccc(c2ccc3c(c2)sc2c3sc3c2cccc3)s1 |
| Title of publication | Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length. |
| Authors of publication | He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 40 |
| Pages of publication | 35427 - 35436 |
| a | 6.0134 ± 0.0004 Å |
| b | 7.8064 ± 0.0004 Å |
| c | 35.177 ± 0.003 Å |
| α | 92.753 ± 0.004° |
| β | 93.386 ± 0.006° |
| γ | 90.013 ± 0.006° |
| Cell volume | 1646.5 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2364 |
| Residual factor for significantly intense reflections | 0.1464 |
| Weighted residual factors for significantly intense reflections | 0.3724 |
| Weighted residual factors for all reflections included in the refinement | 0.4498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.323 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202641 (current) | 2017-11-07 | cif/ Updating files of 4514228, 4514229, 4514230 Original log message: Adding full bibliography for 4514228--4514230.cif. |
4514228.cif |
| 201775 | 2017-10-06 | cif/ Adding structures of 4514228 via cif-deposit CGI script. |
4514228.cif |
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Users of the data should acknowledge the original authors of the
structural data.