Information card for entry 7153619

Structure parameters

• Formula: C28 H29 N3 O2 Se
• Calculated formula: C28 H29 N3 O2 Se
• Title of publication: An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.
• Authors of publication: Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1215 - 1219
• a: 9.29 ± 0.0005 Å
• b: 16.2681 ± 0.001 Å
• c: 16.8894 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No