Information card for entry 2212132

Structure parameters

• Chemical name: 2-{(2-Chlorophenyl)[(2,4-dichlorophenoxy)acetoxy]methyl]-5,5-dimethyl- 1,3,2-dioxaphosphinan-2-one
• Formula: C20 H20 Cl3 O6 P
• Calculated formula: C20 H20 Cl3 O6 P
• SMILES: C1(COP(=O)(C(c2ccccc2Cl)OC(=O)COc2c(cc(cc2)Cl)Cl)OC1)(C)C
• Title of publication: 2-{(2-Chlorophenyl)[(2,4-dichlorophenoxy)acetoxy]methyl}-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one
• Authors of publication: Zuo, Na; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o794 - o795
• a: 8.8627 ± 0.0007 Å
• b: 10.4972 ± 0.0009 Å
• c: 13.3624 ± 0.0011 Å
• α: 79.834 ± 0.001°
• β: 83.707 ± 0.001°
• γ: 69.936 ± 0.001°
• Cell volume: 1147.75 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes