Information card for entry 7708230

Structure parameters

• Formula: C15 H14 N O2 Se
• Calculated formula: C15 H14 N O2 Se
• 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: 13.071 ± 0.0004 Å
• b: 52.6293 ± 0.0018 Å
• c: 7.531 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5180.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No