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Information card for entry 1543748
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1543748.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H52 B2 N2 O4 Te |
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Calculated formula | C31 H52 B2 N2 O4 Te |
SMILES | [Te]1C(=C2C(=C1B1OC(C(O1)(C)C)(C)C)CCCC2)[B]1(OC(C(O1)(C)C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C |
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 | 10.3086 ± 0.0002 Å |
b | 15.0795 ± 0.0003 Å |
c | 21.3795 ± 0.0004 Å |
α | 90° |
β | 93.2679 ± 0.0007° |
γ | 90° |
Cell volume | 3318.01 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0665 |
Weighted residual factors for all reflections included in the refinement | 0.0668 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/1543748.html
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Users of the data should acknowledge the original authors of the
structural data.