Information card for entry 2203519
Formula |
C14 H12 Br2 |
Calculated formula |
C14 H12 Br2 |
SMILES |
Br[C@@H]1[C@@H](Br)[C@H]2[C@@H]3c4ccccc4[C@@H](C=C3)[C@@H]12.Br[C@H]1[C@H](Br)[C@@H]2[C@H]3c4ccccc4[C@H](C=C3)[C@H]12 |
Title of publication |
(1<i>RS</i>,8<i>SR</i>,9<i>RS</i>,10<i>RS</i>,11<i>RS</i>,12<i>RS</i>)-10,11-Dibromotetracyclo[6.4.2.0^2,7^.0^9,12^]tetradeca-2,4,6,13-tetraene |
Authors of publication |
Cem Cüneyt Ersanlı; Ufuk Çoruh; Tuncer Hökelek; Vázquez-López, Ezequiel M.; Arif Daştan; Ahmet Erdönmez |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
4 |
Pages of publication |
o703 - o705 |
a |
11.7056 ± 0.0009 Å |
b |
6.992 ± 0.0005 Å |
c |
14.6897 ± 0.0011 Å |
α |
90° |
β |
92.052 ± 0.001° |
γ |
90° |
Cell volume |
1201.52 ± 0.15 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0573 |
Residual factor for significantly intense reflections |
0.0355 |
Weighted residual factors for significantly intense reflections |
0.0776 |
Weighted residual factors for all reflections included in the refinement |
0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.908 |
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/2203519.html