Information card for entry 2212182

Structure parameters

• 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 ų
• 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