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Information card for entry 2108601
Preview
| Coordinates | 2108601.cif |
|---|---|
| Structure factors | 2108601.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H50 Si2 |
|---|---|
| Calculated formula | C36 H50 Si2 |
| SMILES | C(#Cc1c2ccccc2c(c2c1cccc2)C#C[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds |
| Authors of publication | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 8.602 ± 0.0017 Å |
| b | 10.085 ± 0.002 Å |
| c | 11.209 ± 0.002 Å |
| α | 115.07 ± 0.03° |
| β | 102.61 ± 0.03° |
| γ | 98.82 ± 0.03° |
| Cell volume | 825.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.72932 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2108601.cif 2108601.hkl |
| 252089 | 2020-05-16 | cif/ hkl/ Adding structures of 2108600, 2108601 via cif-deposit CGI script. |
2108601.cif 2108601.hkl |
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.