Information card for entry 1501877

Structure parameters

• Formula: C15 H13 F O3 S
• Calculated formula: C15 H13 F O3 S
• SMILES: S(=O)(=O)(OC(=C\F)/c1ccccc1)c1ccc(cc1)C
• Title of publication: Monofluorovinyl tosylate: a useful building block for the synthesis of terminal vinyl monofluorides via Suzuki-Miyaura coupling.
• Authors of publication: Zhang, He; Zhou, Chang-Bing; Chen, Qing-Yun; Xiao, Ji-Chang; Hong, Ran
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 560 - 563
• a: 9.9664 ± 0.0013 Å
• b: 7.268 ± 0.001 Å
• c: 19.153 ± 0.003 Å
• α: 90°
• β: 99.713 ± 0.002°
• γ: 90°
• Cell volume: 1367.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No