Information card for entry 2229423

Structure parameters

• Common name: dimethyl (<i>E</i>)-1-methyl-2-(methylcarbamoyl)ethenyl phosphate
• Chemical name: (2E)-3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide
• Formula: C7 H14 N O5 P
• Calculated formula: C7 H14 N O5 P
• Title of publication: Monocrotophos: dimethyl (<i>E</i>)-1-methyl-2-(methylcarbamoyl)ethenyl phosphate
• Authors of publication: Cheon, Sanghun; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o584
• a: 10.0498 ± 0.0002 Å
• b: 11.3501 ± 0.0002 Å
• c: 10.4587 ± 0.0002 Å
• α: 90°
• β: 115.377 ± 0.001°
• γ: 90°
• Cell volume: 1077.87 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes