Information card for entry 2238539
Chemical name |
(2<i>E</i>,4<i>E</i>)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate |
Formula |
C13 H12 Cl2 O4 S |
Calculated formula |
C13 H12 Cl2 O4 S |
SMILES |
CCOC(=O)/C=C/C=C/S(=O)(=O)c1ccc(cc1Cl)Cl |
Title of publication |
(2<i>E</i>,4<i>E</i>)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate |
Authors of publication |
Sankar, U.; Sabari, V.; Mahalakshmi, S.; Balasubramanian, K. K.; Aravindhan, S. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
9 |
Pages of publication |
o1387 |
a |
5.773 ± 0.005 Å |
b |
9.939 ± 0.005 Å |
c |
13.268 ± 0.005 Å |
α |
90° |
β |
95.876 ± 0.005° |
γ |
90° |
Cell volume |
757.3 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0332 |
Residual factor for significantly intense reflections |
0.0298 |
Weighted residual factors for significantly intense reflections |
0.0709 |
Weighted residual factors for all reflections included in the refinement |
0.074 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2238539.html