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Information card for entry 1549418
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1549418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H14 B F4 N |
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Calculated formula | C11 H14 B F4 N |
SMILES | Fc1ccc(C([NH+]2CCCC2)[B](F)(F)F)cc1 |
Title of publication | Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). |
Authors of publication | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 23 |
Pages of publication | 5191 - 5196 |
a | 10.8597 ± 0.0001 Å |
b | 11.1368 ± 0.0001 Å |
c | 19.408 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2347.25 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0318 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1549418.html
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Users of the data should acknowledge the original authors of the
structural data.