Information card for entry 2009157

Structure parameters

• Chemical name: N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate
• Formula: C31 H41 N O2 S Se
• Calculated formula: C31 H41 N O2 S Se
• SMILES: [Se](=NS(=O)(=O)c1ccc(cc1)C)(c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Absolute configuration of 2,4,6-tri-<i>tert</i>-butyl-diphenylselenonium-<i>N</i>-toluene-4'-sulfonimide
• Authors of publication: Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1861 - 1862
• a: 10.8176 ± 0.0018 Å
• b: 9.7701 ± 0.0013 Å
• c: 15.242 ± 0.003 Å
• α: 90°
• β: 108.832 ± 0.018°
• γ: 90°
• Cell volume: 1524.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.105
• 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