Information card for entry 2220563

Structure parameters

• Common name: N,N'-Di-(tert-butylsulfinyl)-1,2-di-tert-butylethane-1,2-diamine
• Chemical name: 1,2-di-tert-butylethane-1,2-diyl bis(tert-butanesulfinamide)
• Formula: C18 H40 N2 O2 S2
• Calculated formula: C18 H40 N2 O2 S2
• SMILES: S(=O)(N[C@H](C(C)(C)C)[C@H](NS(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C.S(=O)(N[C@@H](C(C)(C)C)[C@@H](NS(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: 1,2-Di-<i>tert</i>-butylethane-1,2-diyl bis(<i>tert</i>-butanesulfinamide)
• Authors of publication: Sun, Xiaoxia; Hu, Yu; Fan, Congbin; Xiao, Weihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o172
• a: 13.053 ± 0.002 Å
• b: 9.578 ± 0.001 Å
• c: 18.279 ± 0.002 Å
• α: 90°
• β: 92.069 ± 0.008°
• γ: 90°
• Cell volume: 2283.8 ± 0.5 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 5
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes