Information card for entry 2228523
Chemical name |
3,6,8-Tribromoquinoline |
Formula |
C9 H4 Br3 N |
Calculated formula |
C9 H4 Br3 N |
SMILES |
Brc1c2ncc(Br)cc2cc(Br)c1 |
Title of publication |
3,6,8-Tribromoquinoline |
Authors of publication |
Çelik, Ísmail; Akkurt, Mehmet; Ökten, Salih; Çakmak, Osman; García-Granda, Santiago |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3133 |
a |
3.981 ± 0.0002 Å |
b |
12.4176 ± 0.0004 Å |
c |
19.7419 ± 0.0006 Å |
α |
90° |
β |
92.827 ± 0.003° |
γ |
90° |
Cell volume |
974.74 ± 0.07 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0623 |
Residual factor for significantly intense reflections |
0.0536 |
Weighted residual factors for significantly intense reflections |
0.1438 |
Weighted residual factors for all reflections included in the refinement |
0.1504 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2228523.html