Information card for entry 7708228

Structure parameters

• Formula: C2.24 H1.92 N0.16 O0.32 Se0.16
• Calculated formula: C2.24 H1.92 N0.16 O0.32 Se0.16
• 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: 24.107 ± 0.013 Å
• b: 8.995 ± 0.004 Å
• c: 11.722 ± 0.006 Å
• α: 90°
• β: 91.71 ± 0.03°
• γ: 90°
• Cell volume: 2541 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No