Information card for entry 4115435

Structure parameters

• Formula: C18 H18 O4 Se2
• Calculated formula: C18 H18 O4 Se2
• SMILES: [Se]([Se]c1ccccc1C1OCCO1)c1ccccc1C1OCCO1
• 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: 8.969 ± 0.0007 Å
• b: 12.5676 ± 0.0009 Å
• c: 15.6444 ± 0.0012 Å
• α: 90°
• β: 95.293 ± 0.006°
• γ: 90°
• Cell volume: 1755.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No