Information card for entry 2224650

Structure parameters

• Chemical name: Bis(propan-2-yl) [(1<i>S</i>)-1-(4-fluorophenyl)-1-hydroxy-2-nitroethyl]phosphonate
• Formula: C14 H21 F N O6 P
• Calculated formula: C14 H21 F N O6 P
• Title of publication: Bis(propan-2-yl) [(1<i>S</i>)-1-(4-fluorophenyl)-1-hydroxy-2-nitroethyl]phosphonate
• Authors of publication: Mandal, Tanmay; Samanta, Sampak; Broker, Grant A.; Zhao, Cong-Gui; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o99
• a: 5.8267 ± 0.0012 Å
• b: 15.931 ± 0.003 Å
• c: 18.273 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes