Information card for entry 2237263
Chemical name |
(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one |
Formula |
C22 H21 Cl2 N O |
Calculated formula |
C22 H21 Cl2 N O |
SMILES |
Clc1c(/C=C\2C(=O)C(=C\c3ccccc3Cl)\CN(C2)CCC)cccc1 |
Title of publication |
(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one |
Authors of publication |
Yang, Quanzhi; Chen, Lingzi; Weng, Bixia; Fan, Lei; Wu, Xiaoping |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
1 |
Pages of publication |
o63 |
a |
18.0123 ± 0.0015 Å |
b |
7.0128 ± 0.0006 Å |
c |
15.4364 ± 0.0013 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1949.9 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0382 |
Residual factor for significantly intense reflections |
0.0346 |
Weighted residual factors for significantly intense reflections |
0.0852 |
Weighted residual factors for all reflections included in the refinement |
0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2237263.html