Information card for entry 7204536

Structure parameters

• Common name: mfg221
• Formula: C12 H13 F2 N O S
• Calculated formula: C13 H13 F2 N O S
• Title of publication: Fluorination of sulfanyl amides using difluoroiodoarene reagents
• Authors of publication: Motherwell, William B.; Greaney, Michael F.; Edmunds, Jeremy J.; Steed, Jonathan W.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2816
• a: 14.3816 ± 0.0012 Å
• b: 9.289 ± 0.0009 Å
• c: 9.0729 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.05 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No