Information card for entry 2013963

Structure parameters

• Chemical name: 5,5-dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinan-2-one
• Formula: C11 H15 O6 P
• Calculated formula: C11 H15 O6 P
• Title of publication: 5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide
• Authors of publication: Ślepokura, Katarzyna; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o315 - o317
• a: 6.024 ± 0.002 Å
• b: 10.371 ± 0.003 Å
• c: 9.917 ± 0.003 Å
• α: 90°
• β: 97.53 ± 0.03°
• γ: 90°
• Cell volume: 614.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No