Information card for entry 2229611

Structure parameters

• Chemical name: (<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide
• Formula: C12 H15 Cl2 O4 P
• Calculated formula: C12 H15 Cl2 O4 P
• SMILES: c1(c(cc(cc1)Cl)Cl)[C@@H](O)P1(=O)OCC(CO1)(C)C
• Title of publication: (<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide
• Authors of publication: Wang, Chubei; Peng, Hao; Tan, Xiaosong; He, Hongwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o920
• a: 7.0263 ± 0.0009 Å
• b: 9.9443 ± 0.0013 Å
• c: 10.6462 ± 0.0014 Å
• α: 90°
• β: 93.975 ± 0.002°
• γ: 90°
• Cell volume: 742.08 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes