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Information card for entry 7206461
Preview
| Coordinates | 7206461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H44 N6 S6 Si |
|---|---|
| Calculated formula | C42 H44 N6 S6 Si |
| SMILES | c1ccc(c2c3c(c(cn2)c2cc4c(c5c(cc(c6cnc(c7c6nsn7)c6cccs6)s5)[Si]4(C[C@H](CCCC)CC)C[C@H](CCCC)CC)s2)nsn3)s1.c1ccc(c2c3c(c(cn2)c2cc4c(c5c(cc(c6cnc(c7c6nsn7)c6cccs6)s5)[Si]4(C[C@@H](CCCC)CC)C[C@@H](CCCC)CC)s2)nsn3)s1 |
| Title of publication | A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices |
| Authors of publication | Welch, Gregory C.; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; Bazan, Guillermo C. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 34 |
| Pages of publication | 12700 |
| a | 18.817 ± 0.004 Å |
| b | 7.9805 ± 0.0017 Å |
| c | 28.301 ± 0.006 Å |
| α | 90° |
| β | 107.018 ± 0.003° |
| γ | 90° |
| Cell volume | 4063.8 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.137 |
| Residual factor for significantly intense reflections | 0.0841 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.664 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180395 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64. |
7206461.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206461.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206461.cif |
| 27478 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7206460, 7206461 via cif-deposit CGI script. |
7206461.cif |
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