Information card for entry 7134530

Structure parameters

• Common name: (1S,2R)-2-(((4-fluoro-2-nitrophenyl)selanyl)methyl)-2-phenylcyclopentan-1-ol
• Chemical name: (1S,2R)-2-(((4-fluoro-2-nitrophenyl)selanyl)methyl)-2-phenylcyclopentan-1-ol
• Formula: C18 H18 F N O3 Se
• Calculated formula: C18 H18 F N O3 Se
• Title of publication: Organocatalytic asymmetric electrophilic tandem selenylation semipinacol rearrangement of 1-(1-arylvinyl)cyclobutanols
• Authors of publication: Cao, Ren-Fei; Wei, Zheng-Wei; Li, Shu-Kun; Ding, Tong-Mei; Ke, Hua; Chen, Zhi-Min
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 47
• Pages of publication: 8532 - 8535
• a: 7.23267 ± 0.00006 Å
• b: 28.5347 ± 0.0002 Å
• c: 8.41764 ± 0.00008 Å
• α: 90°
• β: 103.353 ± 0.0009°
• γ: 90°
• Cell volume: 1690.29 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No