Information card for entry 4518847

Structure parameters

• Common name: 10a
• Chemical name: (3R,4R/3S,4S)-2-Acetamidotetrahydroselenophene-3,4-diyl diacetate
• Formula: C10 H15 N O5 Se
• Calculated formula: C10 H15 N O5 Se
• Title of publication: Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate
• Authors of publication: Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 8.5156 ± 0.0004 Å
• b: 14.64 ± 0.0004 Å
• c: 20.2074 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2519.22 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No