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Information card for entry 4129741
Preview
| Coordinates | 4129741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | HexOMEind-DSD |
|---|---|
| Formula | C144 H216 O4 Si4 |
| Calculated formula | C144 H216 O4 Si4 |
| 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 | 12.0353 ± 0.0004 Å |
| b | 17.0919 ± 0.0006 Å |
| c | 17.2609 ± 0.0006 Å |
| α | 72.408 ± 0.002° |
| β | 71.873 ± 0.002° |
| γ | 80.801 ± 0.002° |
| Cell volume | 3208.1 ± 0.2 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4129741.cif |
| 240407 | 2019-11-25 | cif/ Adding structures of 4129741 via cif-deposit CGI script. |
4129741.cif |
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Users of the data should acknowledge the original authors of the
structural data.