Information card for entry 4102287

Structure parameters

• Formula: C27 H20 Cl2 N2 O2 Se
• Calculated formula: C27 H20 Cl2 N2 O2 Se
• 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: 9.982 ± 0.003 Å
• b: 22.965 ± 0.007 Å
• c: 11.053 ± 0.004 Å
• α: 90°
• β: 105.729 ± 0.005°
• γ: 90°
• Cell volume: 2438.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No