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Information card for entry 4110301
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| Coordinates | 4110301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BTBT-C12 |
|---|---|
| Chemical name | BTBT-C12 |
| Formula | C38 H56 S2 |
| Calculated formula | C38 H56 S2 |
| SMILES | c12cc(CCCCCCCCCCCC)ccc2c2c(s1)c1c(cc(cc1)CCCCCCCCCCCC)s2 |
| Title of publication | Highly Soluble [1]Benzothieno[3,2-b]benzothiophene (BTBT) Derivatives for High-Performance, Solution-Processed Organic Field-Effect Transistors |
| Authors of publication | Hideaki Ebata; Takafumi Izawa; Eigo Miyazaki; Kazuo Takimiya; Masaaki Ikeda; Hirokazu Kuwabara; Tatsuto Yui |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15732 - 15733 |
| a | 5.864 ± 0.005 Å |
| b | 7.74 ± 0.007 Å |
| c | 37.91 ± 0.03 Å |
| α | 90 ± 0.003° |
| β | 90.589 ± 0.003° |
| γ | 90 ± 0.003° |
| Cell volume | 1721 ± 3 Å3 |
| Cell temperature | 294.2 K |
| Ambient diffraction temperature | 294.2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1405 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178874 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03. |
4110301.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110301.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110301.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110301.cif |
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