Information card for entry 4035856

Structure parameters

• Formula: C9 H14 F3 N O3 S Si
• Calculated formula: C9 H14 F3 N O3 S Si
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Si]([n+]1ccccc1)(C)(C)C
• Title of publication: Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.
• Authors of publication: Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6432 - 6443
• a: 8.71268 ± 0.00006 Å
• b: 16.9165 ± 0.00012 Å
• c: 9.2721 ± 0.00007 Å
• α: 90°
• β: 95.227 ± 0.0006°
• γ: 90°
• Cell volume: 1360.91 ± 0.017 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No