Information card for entry 7104662

Structure parameters

• Formula: C26 H24 F N O8 S2
• Calculated formula: C26 H24 F N O8 S2
• Title of publication: Catalytic enantioselective conjugate addition of fluorobis(phenylsulfonyl)methane to enals: synthesis of chiral monofluoromethyl compounds.
• Authors of publication: Zhang, Shilei; Zhang, Yinan; Ji, Yafei; Li, Hao; Wang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 32
• Pages of publication: 4886 - 4888
• a: 13.3126 ± 0.0008 Å
• b: 15.0787 ± 0.0008 Å
• c: 14.0844 ± 0.0008 Å
• α: 90°
• β: 114.021 ± 0.003°
• γ: 90°
• Cell volume: 2582.4 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No