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Information card for entry 1543747
Preview
| Coordinates | 1543747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H92 B2 N4 O6 Te |
|---|---|
| Calculated formula | C50 H92 B2 N4 O6 Te |
| SMILES | [Te]1C(=C2CCCCC2=C1[B]1(OC(C(O1)(C)C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)[B]1(OC(C(O1)(C)C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.O(CC)CC.O(CC)CC |
| Title of publication | Probing the nature of peripheral boryl groups within luminescent tellurophenes. |
| Authors of publication | Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric |
| Journal of publication | Faraday discussions |
| Year of publication | 2017 |
| Journal volume | 196 |
| Pages of publication | 255 - 268 |
| a | 18.8131 ± 0.0003 Å |
| b | 11.1794 ± 0.0002 Å |
| c | 26.4236 ± 0.0005 Å |
| α | 90° |
| β | 93.0441 ± 0.0006° |
| γ | 90° |
| Cell volume | 5549.55 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543747.cif |
| 193858 | 2017-03-05 | cif/ Updating files of 1543746, 1543747, 1543748 Original log message: Adding full bibliography for 1543746--1543748.cif. |
1543747.cif |
| 184716 | 2016-07-29 | cif/ Adding structures of 1543746, 1543747, 1543748 via cif-deposit CGI script. |
1543747.cif |
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Users of the data should acknowledge the original authors of the
structural data.