Information card for entry 4123432

Structure parameters

• Formula: C14 H12 Br F O2 S
• Calculated formula: C14 H12 Br F O2 S
• Title of publication: Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.
• Authors of publication: Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2468 - 2471
• a: 5.7504 ± 0.001 Å
• b: 10.7595 ± 0.0018 Å
• c: 11.1873 ± 0.0018 Å
• α: 85.696 ± 0.004°
• β: 89.177 ± 0.004°
• γ: 84.614 ± 0.004°
• Cell volume: 687.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No