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Information card for entry 2020289
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| Coordinates | 2020289.cif |
|---|---|
| Structure factors | 2020289.hkl |
| Original IUCr paper | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020289.cif 2020289.hkl |
| 170207 | 2015-11-08 | cif/ hkl/ Adding structures of 2020289, 2020290 via cif-deposit CGI script. |
2020289.cif 2020289.hkl |
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Users of the data should acknowledge the original authors of the
structural data.