Information card for entry 2221111
Chemical name |
4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane |
Formula |
C20 H16 Br4 |
Calculated formula |
C20 H16 Br4 |
SMILES |
BrC(=Cc1cc2CCc3ccc(CCc1cc2)cc3C=C(Br)Br)Br |
Title of publication |
4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane |
Authors of publication |
Clément, Sébastien; Guyard, Laurent; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
3 |
Pages of publication |
o528 |
a |
12.155 ± 0.001 Å |
b |
8.3819 ± 0.0009 Å |
c |
18.335 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1868 ± 0.3 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
3 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0397 |
Residual factor for significantly intense reflections |
0.0319 |
Weighted residual factors for significantly intense reflections |
0.0699 |
Weighted residual factors for all reflections included in the refinement |
0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
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/2221111.html