Information card for entry 7051617

Structure parameters

• Formula: C13 H28 N O3 P Se2
• Calculated formula: C13 H26 N O3 P Se2
• Title of publication: The chemistry of phosphorodiselenoates: structure, catalysis and formation of Se-esters
• Authors of publication: Sarkar, Bijay; Fang, Chiang-Shiang; You, Lee-Yan; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 626
• a: 7.9318 ± 0.0013 Å
• b: 22.409 ± 0.004 Å
• c: 11.2624 ± 0.0018 Å
• α: 90°
• β: 102.172 ± 0.003°
• γ: 90°
• Cell volume: 1956.8 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No