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Information card for entry 7119221
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Coordinates | 7119221.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cyanodimesityl(4-(methyldiphenylphosphonio)phenyl)borate |
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Formula | C40 H42 B N2 P |
Calculated formula | C40 H42 B N2 P |
SMILES | C(#N)[B](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1ccc(cc1)[P+](C)(c1ccccc1)c1ccccc1.C(#N)C |
Title of publication | [(18)F]-Fluoride capture and release: azeotropic drying free nucleophilic aromatic radiofluorination assisted by a phosphonium borane. |
Authors of publication | Perrio, Cécile; Schmitt, Sébastien; Pla, Daniel; Gabbaï, François P; Chansaenpak, Kantapat; Mestre-Voegtle, Béatrice; Gras, Emmanuel |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 53 |
Journal issue | 2 |
Pages of publication | 340 - 343 |
a | 11.4284 ± 0.0012 Å |
b | 12.1152 ± 0.0013 Å |
c | 13.5551 ± 0.0014 Å |
α | 87.976 ± 0.004° |
β | 67.853 ± 0.004° |
γ | 72.668 ± 0.004° |
Cell volume | 1653.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0776 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1262 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7119221.html
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