Information card for entry 2020289
Chemical name |
2,2'-[Benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide |
Formula |
C16 H24 O8 P2 |
Calculated formula |
C16 H24 O8 P2 |
SMILES |
c1(c(cccc1)OP1(=O)OCC(C)(C)CO1)OP1(=O)OCC(C)(C)CO1 |
Title of publication |
A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide |
Authors of publication |
Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
12 |
a |
9.5706 ± 0.0005 Å |
b |
10.2415 ± 0.0005 Å |
c |
11.6998 ± 0.0005 Å |
α |
94.507 ± 0.004° |
β |
110.27 ± 0.004° |
γ |
111.616 ± 0.005° |
Cell volume |
971.75 ± 0.1 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0378 |
Residual factor for significantly intense reflections |
0.0323 |
Weighted residual factors for significantly intense reflections |
0.0847 |
Weighted residual factors for all reflections included in the refinement |
0.0896 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
Mo-Kα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2020289.html