Information card for entry 7128589

Structure parameters

• Chemical name: (S)-1-((4-bromophenyl)sulfonyl)-3-fluoropyrrolidine
• Formula: C10 H11 Br F N O2 S
• Calculated formula: C10 H11 Br F N O2 S
• SMILES: Brc1ccc(S(=O)(=O)N2CC[C@H](F)C2)cc1
• Title of publication: Deoxyfluorination of alcohols with aryl fluorosulfonates.
• Authors of publication: Wang, Xiu; Zhou, Min; Liu, Qinghe; Ni, Chuanfa; Fei, Zhongbo; Li, Wei; Hu, Jinbo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 66
• Pages of publication: 8170 - 8173
• a: 10.1604 ± 0.0008 Å
• b: 10.197 ± 0.001 Å
• c: 11.8624 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1229 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No