Information card for entry 2020289

Structure parameters

• 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 ų
• 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