Information card for entry 2217003

Structure parameters

• Chemical name: Diethyl [hydroxy(2-nitrophenyl)methyl]phosphonate
• Formula: C11 H16 N O6 P
• Calculated formula: C11 H16 N O6 P
• Title of publication: Diethyl [hydroxy(2-nitrophenyl)methyl]phosphonate
• Authors of publication: Cai-bao Chen; Wei-wei Jin; Xin-yong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o144 - o144
• a: 7.5659 ± 0.0013 Å
• b: 8.3844 ± 0.0015 Å
• c: 12.557 ± 0.002 Å
• α: 73.356 ± 0.003°
• β: 87.391 ± 0.003°
• γ: 64.432 ± 0.003°
• Cell volume: 685.6 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes