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Information card for entry 4510295
Preview
| Coordinates | 4510295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H30 S2 Si2 |
|---|---|
| Calculated formula | C26 H30 S2 Si2 |
| SMILES | s1c(ccc1c1sc(cc1)c1ccc([Si](C)(C)C)cc1)c1ccc(cc1)[Si](C)(C)C |
| Title of publication | Molecularly Smooth Single-Crystalline Films of Thiophene–Phenylene Co-Oligomers Grown at the Gas–Liquid Interface |
| Authors of publication | Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 1726 |
| a | 12.246 ± 0.002 Å |
| b | 12.25 ± 0.003 Å |
| c | 34.687 ± 0.007 Å |
| α | 90° |
| β | 90.55 ± 0.03° |
| γ | 90° |
| Cell volume | 5203.3 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1727 |
| Weighted residual factors for all reflections included in the refinement | 0.1839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.69411 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4510295.cif |
| 179649 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02. |
4510295.cif |
| 109025 | 2014-04-07 | cif/ Adding structures of 4510295 via cif-deposit CGI script. |
4510295.cif |
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