Information card for entry 2239645
Common name |
Vinclozolin |
Chemical name |
3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione |
Formula |
C12 H9 Cl2 N O3 |
Calculated formula |
C12 H9 Cl2 N O3 |
SMILES |
Clc1cc(N2C(=O)OC(C2=O)(C)C=C)cc(Cl)c1 |
Title of publication |
Vinclozolin: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione |
Authors of publication |
Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
7 |
Pages of publication |
o754 |
a |
15.0727 ± 0.0012 Å |
b |
5.2947 ± 0.0005 Å |
c |
15.539 ± 0.0012 Å |
α |
90° |
β |
100.916 ± 0.005° |
γ |
90° |
Cell volume |
1217.66 ± 0.18 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0553 |
Residual factor for significantly intense reflections |
0.0419 |
Weighted residual factors for significantly intense reflections |
0.1083 |
Weighted residual factors for all reflections included in the refinement |
0.1148 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2239645.html