Information card for entry 7125404

Structure parameters

• Common name: 1,2-oxaphosphinine 2-oxide
• Chemical name: rel-(2R,3S,4R)-2-ethoxy-4,6-diphenyl-3-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1,2-oxaphosphinine 2-oxide
• Formula: C25 H22 F3 O3 P
• Calculated formula: C25 H22 F3 O3 P
• Title of publication: Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.
• Authors of publication: Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 87
• Pages of publication: 13124 - 13127
• a: 17.8304 ± 0.0014 Å
• b: 17.8304 ± 0.0014 Å
• c: 36.593 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10075 ± 5 ų
• Cell temperature: 108.05 ± 0.1 K
• Ambient diffraction temperature: 108.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No