Information card for entry 7151172

Structure parameters

• Formula: C14 H18 N2 O6 Se
• Calculated formula: C14 H18 N2 O6 Se
• Title of publication: Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.
• Authors of publication: Kuzma, Dusan; Parvez, Masood; Back, Thomas George
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 19
• Pages of publication: 3213 - 3217
• a: 4.554 ± 0.002 Å
• b: 18.386 ± 0.004 Å
• c: 9.912 ± 0.007 Å
• α: 90°
• β: 102.57 ± 0.02°
• γ: 90°
• Cell volume: 810 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No