Information card for entry 4031134

Structure parameters

• Formula: C22 H23 F O3 S Si
• Calculated formula: C22 H23 F O3 S Si
• SMILES: S(=O)(=O)(F)Oc1c([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cccc1
• Title of publication: Development and Application of O-(Trimethylsilyl)aryl Fluorosulfates for the Synthesis of Arynes.
• Authors of publication: Chen, Qiao; Yu, Hongmei; Xu, Zhaoqing; Lin, Li; Jiang, Xianxing; Wang, Rui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 13
• Pages of publication: 6890 - 6896
• a: 9.5146 ± 0.0005 Å
• b: 10.4175 ± 0.0008 Å
• c: 22.0011 ± 0.0016 Å
• α: 91.882 ± 0.006°
• β: 95.119 ± 0.005°
• γ: 93.892 ± 0.005°
• Cell volume: 2165.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1422
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No