Information card for entry 7119680

Structure parameters

• Formula: C21 H17 N O3 S Se
• Calculated formula: C21 H17 N O3 S Se
• SMILES: [Se](c1ccccc1)CC(N1S(=O)(=O)c2c(C1=O)cccc2)c1ccccc1
• Title of publication: Peroxodisulfate-mediated selenoamination of alkenes yielding amidoselenide-containing sulfamides and azoles
• Authors of publication: Kai Sun; Xin Wang; Yunhe Lv; Gang Li; Hezhen Jiao; Changwei Dai; Yangyang Li; Chong Zhang; Lin Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8471
• a: 9.7234 ± 0.0004 Å
• b: 9.8305 ± 0.0004 Å
• c: 22.0952 ± 0.0009 Å
• α: 102.367 ± 0.003°
• β: 94.393 ± 0.003°
• γ: 107.218 ± 0.003°
• Cell volume: 1948.22 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No