Information card for entry 2229611
Chemical name |
(<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide |
Formula |
C12 H15 Cl2 O4 P |
Calculated formula |
C12 H15 Cl2 O4 P |
SMILES |
c1(c(cc(cc1)Cl)Cl)[C@@H](O)P1(=O)OCC(CO1)(C)C |
Title of publication |
(<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide |
Authors of publication |
Wang, Chubei; Peng, Hao; Tan, Xiaosong; He, Hongwu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
4 |
Pages of publication |
o920 |
a |
7.0263 ± 0.0009 Å |
b |
9.9443 ± 0.0013 Å |
c |
10.6462 ± 0.0014 Å |
α |
90° |
β |
93.975 ± 0.002° |
γ |
90° |
Cell volume |
742.08 ± 0.17 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 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 |
0.044 |
Residual factor for significantly intense reflections |
0.0424 |
Weighted residual factors for significantly intense reflections |
0.1036 |
Weighted residual factors for all reflections included in the refinement |
0.105 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.01 |
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/2229611.html