Information card for entry 2212406

Structure parameters

• Chemical name: N,N'-Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine
• Formula: C12 H26 N2 O4 P2 S2
• Calculated formula: C12 H26 N2 O4 P2 S2
• SMILES: CC1(C)COP(NCCNP2(OCC(C)(C)CO2)=S)(OC1)=S
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine
• Authors of publication: Hai-Bing Li; Ya Li; De-Jun Xiong; De-Mei Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o606 - o607
• a: 14.545 ± 0.002 Å
• b: 11.2714 ± 0.0016 Å
• c: 12.1561 ± 0.0018 Å
• α: 90°
• β: 98.56 ± 0.003°
• γ: 90°
• Cell volume: 1970.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.149
• 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