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Information card for entry 7116754
Preview
| Coordinates | 7116754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H34 B2 O4 Te |
|---|---|
| Calculated formula | C28 H34 B2 O4 Te |
| SMILES | [Te]1C(=C(C(=C1c1ccccc1)B1OC(C(O1)(C)C)(C)C)c1ccccc1)B1OC(C(O1)(C)C)(C)C |
| Title of publication | Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions |
| Authors of publication | Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 5444 |
| a | 7.0792 ± 0.0011 Å |
| b | 12.1454 ± 0.0019 Å |
| c | 16.953 ± 0.003 Å |
| α | 75.2698 ± 0.0017° |
| β | 82.0304 ± 0.0019° |
| γ | 80.2126 ± 0.0019° |
| Cell volume | 1382.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116754.cif |
| 180281 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/67. |
7116754.cif |
| 133979 | 2015-03-17 | cif/ Adding structures of 7116750, 7116751, 7116752, 7116753, 7116754 via cif-deposit CGI script. |
7116754.cif |
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Users of the data should acknowledge the original authors of the
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