Information card for entry 2203857
Chemical name |
(E)-2-[2-(4-trifluoromethylphenyl)ethenyl]-1,3,2-benzodioxaborole |
Formula |
C15 H10 B F3 O2 |
Calculated formula |
C15 H10 B F3 O2 |
SMILES |
FC(c1ccc(cc1)/C=C/B1Oc2c(O1)cccc2)(F)F |
Title of publication |
(<i>E</i>)-2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3,2-benzodioxaborole |
Authors of publication |
Clegg, William; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter; Marder, Todd B. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
7 |
Pages of publication |
o1175 - o1177 |
a |
6.757 ± 0.004 Å |
b |
7.768 ± 0.004 Å |
c |
12.578 ± 0.007 Å |
α |
93.581 ± 0.012° |
β |
98.6 ± 0.016° |
γ |
91.084 ± 0.015° |
Cell volume |
651.2 ± 0.6 Å3 |
Cell temperature |
160 ± 2 K |
Ambient diffraction temperature |
160 ± 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 |
0.1177 |
Residual factor for significantly intense reflections |
0.0905 |
Weighted residual factors for significantly intense reflections |
0.2562 |
Weighted residual factors for all reflections included in the refinement |
0.2792 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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