Information card for entry 2227367

Structure parameters

• Common name: <i>O</i>,<i>O</i>-Dimethyl {[(2,4-dichlorophenoxy)acetoxy](furan-2-yl)methyl}phosphonate
• Chemical name: (Dimethoxyphosphoryl)(furan-2-yl)methyl 2-(2,4-dichlorophenoxy)acetate
• Formula: C15 H15 Cl2 O7 P
• Calculated formula: C15 H15 Cl2 O7 P
• SMILES: c1(cc(c(cc1)OCC(=O)OC(c1ccco1)P(=O)(OC)OC)Cl)Cl
• Title of publication: (Dimethoxyphosphoryl)(furan-2-yl)methyl 2-(2,4-dichlorophenoxy)acetate
• Authors of publication: Tan, Xiaosong; Peng, Hao; He, Hongwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2962
• a: 8.538 ± 0.0007 Å
• b: 17.3111 ± 0.0014 Å
• c: 12.4003 ± 0.001 Å
• α: 90°
• β: 98.475 ± 0.001°
• γ: 90°
• Cell volume: 1812.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes