Information card for entry 7160284

Structure parameters

• Formula: C14 H11 N O S Se
• Calculated formula: C14 H11 N O S Se
• Title of publication: Synthesis, antioxidant and structural properties of modified ebselen derivatives and conjugates.
• Authors of publication: Doig, Adrian I.; Sands, Kai N.; Boongaling, Bienca; Zhou, Wen; Back, Thomas G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 45
• Pages of publication: 8881 - 8897
• a: 7.6587 ± 0.0006 Å
• b: 12.8138 ± 0.001 Å
• c: 13.2244 ± 0.001 Å
• α: 90°
• β: 101.196 ± 0.001°
• γ: 90°
• Cell volume: 1273.1 ± 0.17 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No