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Information card for entry 4001216
Preview
| Coordinates | 4001216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,12-bis(triisopropylsilylethynyl)tetraceno[2,3-b]thiophene |
|---|---|
| Formula | C42 H52 S Si2 |
| Calculated formula | C42.1108 H47.1808 S1.112 Si2 |
| SMILES | CC([Si](C(C)C)(C(C)C)C#Cc1c2cc3sccc3cc2c(c2c1cc1ccccc1c2)C#C[Si](C(C)C)(C(C)C)C(C)C)C |
| Title of publication | Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors |
| Authors of publication | Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 14 |
| Pages of publication | 4669 |
| a | 7.6335 ± 0.0007 Å |
| b | 7.655 ± 0.0008 Å |
| c | 16.8281 ± 0.0008 Å |
| α | 75.65 ± 0.009° |
| β | 86.542 ± 0.013° |
| γ | 81.391 ± 0.008° |
| Cell volume | 941.65 ± 0.14 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections | 0.2233 |
| Weighted residual factors for significantly intense reflections | 0.2233 |
| Weighted residual factors for all reflections included in the refinement | 0.2233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4001216.cif |
| 170537 | 2015-11-25 | cif/4 Fixing Z and Z' values and formulae |
4001216.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001216.cif |
| 41921 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001216, 4001217, 4001218, 4001219, 4001220 via cif-deposit CGI script. |
4001216.cif |
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