Information card for entry 2201102
Common name |
Cis-1,2-dibromostilbene, diphenylacetylene (2:1) |
Chemical name |
Cis-1,2-dibromo-1,2-diphenylethene, diphenylethyne (2:1) |
Formula |
C42 H30 Br4 |
Calculated formula |
C42 H30 Br4 |
SMILES |
c1ccc(cc1)C#Cc1ccccc1.BrC(=C(/c1ccccc1)Br)/c1ccccc1.BrC(=C(/c1ccccc1)Br)/c1ccccc1 |
Title of publication |
<i>cis</i>-1,2-Dibromo-1,2-diphenylethene‒diphenylethyne (2/1) |
Authors of publication |
Barnes, John C.; Chudek, John A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
6 |
Pages of publication |
o703 - o705 |
a |
14.8445 ± 0.0005 Å |
b |
5.7702 ± 0.0003 Å |
c |
20.741 ± 0.009 Å |
α |
90° |
β |
104.037 ± 0.002° |
γ |
90° |
Cell volume |
1723.5 ± 0.8 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
3 |
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 |
0.088 |
Residual factor for significantly intense reflections |
0.0554 |
Weighted residual factors for significantly intense reflections |
0.1305 |
Weighted residual factors for all reflections included in the refinement |
0.1482 |
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 |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2201102.html