Information card for entry 7708232

Structure parameters

• Formula: C42 H56 N2 O2 Se2
• Calculated formula: C42 H56 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: 10.2947 ± 0.0003 Å
• b: 13.243 ± 0.0004 Å
• c: 16.0604 ± 0.0005 Å
• α: 71.613 ± 0.002°
• β: 89.239 ± 0.002°
• γ: 72.347 ± 0.002°
• Cell volume: 1971.7 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No