Information card for entry 2230877
Common name |
1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene |
Chemical name |
1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene |
Formula |
C6 Br F4 N O2 |
Calculated formula |
C6 Br F4 N O2 |
SMILES |
Brc1c(c(c(c(c1F)F)N(=O)=O)F)F |
Title of publication |
1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene |
Authors of publication |
Stein, Mario; Schwarzer, Anke; Hulliger, Jürg; Weber, Edwin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1655 |
a |
5.6718 ± 0.0003 Å |
b |
10.9476 ± 0.0006 Å |
c |
12.2652 ± 0.0008 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
761.58 ± 0.08 Å3 |
Cell temperature |
93 ± 2 K |
Ambient diffraction temperature |
93 ± 2 K |
Number of distinct elements |
5 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0254 |
Residual factor for significantly intense reflections |
0.0227 |
Weighted residual factors for significantly intense reflections |
0.0522 |
Weighted residual factors for all reflections included in the refinement |
0.0529 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230877.html