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Information card for entry 1551816
Preview
| Coordinates | 1551816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H38 Si2 |
|---|---|
| Calculated formula | C38 H38 Si2 |
| Title of publication | Crystal Structure of a Novel Diyne, 1,4-Bis(4-((Z)-1-phenyl-2-(trimethylsilyl)vinyl)phenyl)buta-1,3-diyne |
| Authors of publication | ANZAI, Fumiaki; KATAISHI, Takumi; NAKANO, Taichi; HIRAYAMA, Mieko; HIRAYAMA, Noriaki |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 63 |
| a | 8.6324 ± 0.0006 Å |
| b | 6.8543 ± 0.0005 Å |
| c | 27.61 ± 0.002 Å |
| α | 89.982 ± 0.004° |
| β | 89.783 ± 0.004° |
| γ | 89.99 ± 0.005° |
| Cell volume | 1633.6 ± 0.2 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551816.cif |
| 216429 | 2019-06-20 | cif/ Adding structures of 1551816 via cif-deposit CGI script. |
1551816.cif |
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Users of the data should acknowledge the original authors of the
structural data.