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Information card for entry 7134982
Preview
| Coordinates | 7134982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Disila-hexaarene |
|---|---|
| Formula | C46 H52 Si2 |
| Calculated formula | C46 H52 Si2 |
| Title of publication | The role of main group elements in shaping the properties of linearly-fused heterohexaarenes. |
| Authors of publication | Espineira-Gutierrez, Adrian; Caro-Noakes, Ines; Zhang, Min; Mas-Torrent, Marta; Regulska, Elzbieta; Romero-Nieto, Carlos |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 9.869 ± 0.006 Å |
| b | 12.442 ± 0.007 Å |
| c | 32.249 ± 0.019 Å |
| α | 82.407 ± 0.01° |
| β | 81.941 ± 0.01° |
| γ | 74.764 ± 0.008° |
| Cell volume | 3764 ± 4 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 all reflections | 0.1791 |
| Residual factor for significantly intense reflections | 0.1091 |
| Weighted residual factors for significantly intense reflections | 0.2711 |
| Weighted residual factors for all reflections included in the refinement | 0.3603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302127 (current) | 2025-09-13 | cif/ Adding structures of 7134982 via cif-deposit CGI script. |
7134982.cif |
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Users of the data should acknowledge the original authors of the
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