Information card for entry 4083771
Formula |
C16 H6 B Br F12 |
Calculated formula |
C16 H6 B Br F12 |
Title of publication |
Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit |
Authors of publication |
Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication |
Organometallics |
Year of publication |
2014 |
Pages of publication |
140626134355006 |
a |
8.2816 ± 0.0006 Å |
b |
9.2342 ± 0.0007 Å |
c |
12.7869 ± 0.0009 Å |
α |
106.284 ± 0.006° |
β |
102.371 ± 0.006° |
γ |
99.235 ± 0.006° |
Cell volume |
891.11 ± 0.12 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.0503 |
Residual factor for significantly intense reflections |
0.0466 |
Weighted residual factors for significantly intense reflections |
0.1162 |
Weighted residual factors for all reflections included in the refinement |
0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/4083771.html