Information card for entry 2232929

Structure parameters

• Chemical name: 4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)- 1,3,2-dioxaphosphorinane 2-oxide
• Formula: C20 H31 Cl2 N2 O6 P Si
• Calculated formula: C20 H31 Cl2 N2 O6 P Si
• SMILES: c1(c(ccc(c1)Cl)C1C(C)(C)COP(=O)(NCCC[Si]234[N](CCO2)(CCO3)CCO4)O1)Cl
• Title of publication: 4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)-1,3,2-dioxaphosphorinane 2-oxide
• Authors of publication: Liu, Zhe-Rong; Tan, Xiao-Jing; Wang, De-Jian; Wang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3279
• a: 10.7738 ± 0.0012 Å
• b: 10.932 ± 0.0013 Å
• c: 11.2807 ± 0.0013 Å
• α: 111.135 ± 0.002°
• β: 95.926 ± 0.002°
• γ: 90.424 ± 0.002°
• Cell volume: 1231.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes