Information card for entry 2217844

Structure parameters

• Chemical name: 2-[3-(Trifluoromethyl)phenoxy]ethyl 1-oxo-2,6,7-trioxa-1λ^5^-phosphabicyclo[2.2.2]octane-4-carboxylate
• Formula: C14 H14 F3 O7 P
• Calculated formula: C14 H14 F3 O7 P
• Title of publication: 2-[3-(Trifluoromethyl)phenoxy]ethyl 1-oxo-2,6,7-trioxa-1λ^5^-phosphabicyclo[2.2.2]octane-4-carboxylate
• Authors of publication: Wang, Wei; Wang, Wei-Dong; Wang, Shao-Bin; Shen, Yun-Li; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o582
• a: 5.7824 ± 0.0003 Å
• b: 27.506 ± 0.0016 Å
• c: 10.2878 ± 0.0006 Å
• α: 90°
• β: 96.738 ± 0.001°
• γ: 90°
• Cell volume: 1624.98 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes