Information card for entry 4332467

Structure parameters

• Chemical name: {2-[1.3-di-tert-butyl-4-(2-dimethylaminoethylselanyl) -2,4-dioxo-2λ^5^,4λ^5^-[1,2,3,4]diazphosphetidin-2- ylselanyl]ethyl}dimethylamine
• Formula: C16 H38 N4 O2 P2 Se2
• Calculated formula: C16 H38 N4 O2 P2 Se2
• Title of publication: Intramolecular Amine-Induced [1,3]-Sigmatropic Rearrangement in the Reactions of Aminophosphinites or Phosphites with Elemental Sulfur or Selenium
• Authors of publication: Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5893 - 5897
• a: 6.7992 ± 0.0008 Å
• b: 9.691 ± 0.001 Å
• c: 9.166 ± 0.001 Å
• α: 95.505 ± 0.002°
• β: 93.929 ± 0.002°
• γ: 104.507 ± 0.002°
• Cell volume: 579.31 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No