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Information card for entry 7233589
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| Coordinates | 7233589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5,5Bis(5ndecylpyridin-2-yl)2,2-bithiophene |
|---|---|
| Formula | C38 H52 N2 S2 |
| Calculated formula | C38 H52 N2 S2 |
| Title of publication | 5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport |
| Authors of publication | Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 256 - 271 |
| a | 6.073 ± 0.004 Å |
| b | 11.566 ± 0.007 Å |
| c | 12.264 ± 0.007 Å |
| α | 95.841 ± 0.011° |
| β | 91.877 ± 0.01° |
| γ | 100.404 ± 0.011° |
| Cell volume | 841.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233589.cif |
| 217879 | 2019-08-30 | cif/ Adding structures of 7233589 via cif-deposit CGI script. |
7233589.cif |
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Users of the data should acknowledge the original authors of the
structural data.