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Information card for entry 4129742
Preview
| Coordinates | 4129742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (HexO)MEindBr |
|---|---|
| Formula | C30 H49 Br O |
| Calculated formula | C30 H49 Br O |
| SMILES | O(c1c2c(c(Br)c3c1C(CC3(CC)CC)(C)C)C(CC2(C)C)(CC)CC)CCCCCC |
| Title of publication | Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks. |
| Authors of publication | Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 47 |
| Pages of publication | 15026 - 15035 |
| a | 25.656 ± 0.005 Å |
| b | 11.2439 ± 0.0018 Å |
| c | 21.551 ± 0.004 Å |
| α | 90° |
| β | 116.916 ± 0.0019° |
| γ | 90° |
| Cell volume | 5543.4 ± 1.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4129742.cif |
| 240408 | 2019-11-25 | cif/ Adding structures of 4129742 via cif-deposit CGI script. |
4129742.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.