Information card for entry 2020290

Structure parameters

• Chemical name: 2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide
• Formula: C10 H20 O7 P2
• Calculated formula: C10 H20 O7 P2
• SMILES: P1(=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: 9.8434 ± 0.0002 Å
• b: 11.3589 ± 0.0003 Å
• c: 26.6986 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.18 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes