Information card for entry 7151171

Structure parameters

• Formula: C14 H12 Cl N2 O2.5 Se
• Calculated formula: C14 H11 Cl N2 O2.5 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: 7.944 ± 0.003 Å
• b: 9.7 ± 0.004 Å
• c: 11.001 ± 0.003 Å
• α: 81.649 ± 0.003°
• β: 74.131 ± 0.003°
• γ: 67.241 ± 0.002°
• Cell volume: 751.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No