Information card for entry 2212673

Structure parameters

• Chemical name: N,N'-Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl)piperazine
• Formula: C14 H28 N2 O4 P2 S2
• Calculated formula: C14 H28 N2 O4 P2 S2
• SMILES: C1C(COP(N2CCN(CC2)P2(OCC(CO2)(C)C)=S)(O1)=S)(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl)piperazine
• Authors of publication: Ming-Liang Chen; De-Jun Xiong; Bo Hu; Hai-Bing Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1192 - o1193
• a: 10.564 ± 0.0011 Å
• b: 7.0698 ± 0.0007 Å
• c: 13.3651 ± 0.0014 Å
• α: 90°
• β: 100.378 ± 0.002°
• γ: 90°
• Cell volume: 981.85 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes