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Information card for entry 7233152
Preview
| Coordinates | 7233152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane) |
|---|---|
| Chemical name | 2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane) |
| Formula | C38 H54 N2 O4 S4 Si2 |
| Calculated formula | C38 H54 N2 O4 S4 Si2 |
| SMILES | s1c([Si](C)(C)C)c(cc1c1sc2c(n1)C1(OCCO1)C1(OCCO1)c1nc(sc21)c1sc([Si](C)(C)C)c(c1)CCCCCC)CCCCCC |
| Title of publication | Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport |
| Authors of publication | Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 1467 - 1481 |
| a | 11.205 ± 0.006 Å |
| b | 11.868 ± 0.007 Å |
| c | 16.094 ± 0.009 Å |
| α | 103.904 ± 0.011° |
| β | 97.871 ± 0.011° |
| γ | 94.16 ± 0.011° |
| Cell volume | 2046 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217069 (current) | 2019-07-16 | cif/ Adding structures of 7233152 via cif-deposit CGI script. |
7233152.cif |
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