Information card for entry 7158498

Structure parameters

• Formula: C24 H18 F2 O S
• Calculated formula: C24 H18 F2 O S
• Title of publication: Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.
• Authors of publication: Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 1500 - 1509
• a: 5.7949 ± 0.0004 Å
• b: 15.4144 ± 0.0012 Å
• c: 21.1109 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.7 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No