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Information card for entry 1554068
Preview
| Coordinates | 1554068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 9,10-Diphenylanthracene |
|---|---|
| Formula | C26 H18 |
| Calculated formula | C26 H18 |
| SMILES | c12c(c3c(c(c1cccc2)c1ccccc1)cccc3)c1ccccc1 |
| Title of publication | Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis |
| Authors of publication | Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2016 |
| Journal volume | 120 |
| Journal issue | 3 |
| Pages of publication | 1831 |
| a | 9.216 ± 0.002 Å |
| b | 21.111 ± 0.005 Å |
| c | 10.041 ± 0.002 Å |
| α | 90° |
| β | 111.404 ± 0.004° |
| γ | 90° |
| Cell volume | 1818.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1554068.cif |
| 236523 | 2019-11-24 | cif/ Adding structures of 1554068 via cif-deposit CGI script. |
1554068.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.