Information card for entry 2219307
Chemical name |
1,5-Bis(4-bromophenyl)-3-phenylpentane-1,5-dione |
Formula |
C23 H18 Br2 O2 |
Calculated formula |
C23 H18 Br2 O2 |
SMILES |
Brc1ccc(C(=O)CC(c2ccccc2)CC(=O)c2ccc(Br)cc2)cc1 |
Title of publication |
1,5-Bis(4-bromophenyl)-3-phenylpentane-1,5-dione |
Authors of publication |
Li, Kao-Zhen; Chen, Yu-Ting; Zhao, Chuan-Wen; Wei, Guo-Dong; He, Qing-Peng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
9 |
Pages of publication |
o1665 |
a |
26.46 ± 0.003 Å |
b |
6.208 ± 0.0017 Å |
c |
26.32 ± 0.003 Å |
α |
90° |
β |
112.02 ± 0.002° |
γ |
90° |
Cell volume |
4008 ± 1.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
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 |
0.1772 |
Residual factor for significantly intense reflections |
0.0986 |
Weighted residual factors for significantly intense reflections |
0.2574 |
Weighted residual factors for all reflections included in the refinement |
0.301 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.926 |
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/2219307.html