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Information card for entry 4113073
Preview
| Coordinates | 4113073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H24 F26 S4 Si2 |
|---|---|
| Calculated formula | C34 H24 F26 S4 Si2 |
| Title of publication | Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n= 2-6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization |
| Authors of publication | Antonio Facchetti; Myung-Han Yoon; Charlotte L. Stern; Geoffrey R. Hutchison; Mark A. Ratner; Tobin J. Marks |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 13480 - 13501 |
| a | 35.876 ± 0.009 Å |
| b | 6.019 ± 0.001 Å |
| c | 20.131 ± 0.005 Å |
| α | 90° |
| β | 94.495 ± 0.004° |
| γ | 90° |
| Cell volume | 4333.7 ± 1.7 Å3 |
| Cell temperature | 153.2 K |
| Ambient diffraction temperature | 153.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections | 1.285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.86 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4113073.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4113073.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113073.cif |
| 65493 | 2012-09-05 | cif/ Adding structures of 4113073 via cif-deposit CGI script. |
4113073.cif |
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Users of the data should acknowledge the original authors of the
structural data.