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Information card for entry 7117554
Preview
Coordinates | 7117554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H9 B F3 N3 O2 |
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Calculated formula | C9 H9 B F3 N3 O2 |
SMILES | F[B](F)(F)=C1N(C(N2C(=O)C=CC2=O)=CN1C)C |
Title of publication | [^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging |
Authors of publication | Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 62 |
Pages of publication | 12439 - 12442 |
a | 7.5804 ± 0.0012 Å |
b | 7.9279 ± 0.0013 Å |
c | 18.431 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1107.6 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.11 |
Residual factor for significantly intense reflections | 0.1079 |
Weighted residual factors for significantly intense reflections | 0.2751 |
Weighted residual factors for all reflections included in the refinement | 0.2763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117554.html
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