Information card for entry 7708227

Structure parameters

• Formula: C28 H24 N2 O2 Se2
• Calculated formula: C28 H24 N2 O2 Se2
• Title of publication: Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides
• Authors of publication: Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.0735 ± 0.0002 Å
• b: 8.0735 ± 0.0002 Å
• c: 31.3692 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1770.75 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No