Information card for entry 4115437

Structure parameters

• Formula: C22 H24 N2 O2 Se2
• Calculated formula: C22 H24 N2 O2 Se2
• SMILES: [Se]([Se]c1ccccc1C1=NC(CO1)(C)C)c1ccccc1C1OCC(N=1)(C)C
• Title of publication: Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study
• Authors of publication: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 839 - 850
• a: 33.198 ± 0.004 Å
• b: 33.198 ± 0.004 Å
• c: 10.5639 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10083 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.0837
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No