Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543747
Preview
Coordinates | 1543747.cif |
---|---|
Original paper (by DOI) | HTML |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543747.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.