Information card for entry 2212182
Chemical name |
1,3-Bis(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yloxy)benzene |
Formula |
C16 H24 O8 P2 |
Calculated formula |
C16 H24 O8 P2 |
SMILES |
P1(=O)(Oc2cccc(OP3(=O)OCC(CO3)(C)C)c2)OCC(CO1)(C)C |
Title of publication |
1,3-Bis(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yloxy)benzene |
Authors of publication |
Li, Xiao-Jun; Sun, Shu-Juan; Wang, Jing; Wang, Yan-Fei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o619 - o620 |
a |
22.646 ± 0.007 Å |
b |
6.3642 ± 0.0019 Å |
c |
13.795 ± 0.004 Å |
α |
90° |
β |
97.96 ± 0.005° |
γ |
90° |
Cell volume |
1969 ± 1 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
4 |
Space group number |
5 |
Hermann-Mauguin space group symbol |
C 1 2 1 |
Hall space group symbol |
C 2y |
Residual factor for all reflections |
0.0714 |
Residual factor for significantly intense reflections |
0.0406 |
Weighted residual factors for significantly intense reflections |
0.0783 |
Weighted residual factors for all reflections included in the refinement |
0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
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/2212182.html