Information card for entry 2229876

Structure parameters

• Chemical name: 2-[(4-Chlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one
• Formula: C12 H16 Cl O4 P
• Calculated formula: C12 H16 Cl O4 P
• SMILES: CC1(C)COP(=O)(C(c2ccc(cc2)Cl)O)OC1
• Title of publication: 2-[(4-Chlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one
• Authors of publication: Wang, Chubei; Peng, Hao; He, Hongwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o926
• a: 12.8965 ± 0.0011 Å
• b: 9.4449 ± 0.0008 Å
• c: 11.6425 ± 0.001 Å
• α: 90°
• β: 98.63 ± 0.001°
• γ: 90°
• Cell volume: 1402.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes