Information card for entry 4102286

Structure parameters

• Formula: C26 H20 N2 O2 Se
• Calculated formula: C26 H20 N2 O2 Se
• SMILES: C(=O)(Nc1ccccc1)c1c([Se]c2c(cccc2)C(=O)Nc2ccccc2)cccc1
• Title of publication: Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane
• Authors of publication: Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5364 - 5374
• a: 24.069 ± 0.003 Å
• b: 5.1082 ± 0.0006 Å
• c: 17.486 ± 0.002 Å
• α: 90 ± 0.002°
• β: 108.292 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 2041.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No