Information card for entry 4115439

Structure parameters

• Formula: C24 H24 N2 Se2
• Calculated formula: C24 H24 N2 Se2
• SMILES: [Se]([Se]c1cccc2cccc(N(C)C)c12)c1cccc2cccc(N(C)C)c12
• 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: 7.6738 ± 0.001 Å
• b: 11.0274 ± 0.0011 Å
• c: 26.127 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2210.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1661
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No