Information card for entry 1503725

Structure parameters

• Formula: C7 H7 F3 N2 O2 S
• Calculated formula: C7 H7 F3 N2 O2 S
• SMILES: S(=O)(=O)(N=n1cc(ccc1)C)C(F)(F)F
• Title of publication: Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.
• Authors of publication: Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 281 - 284
• a: 10.483 ± 0.005 Å
• b: 7.23 ± 0.004 Å
• c: 13.081 ± 0.006 Å
• α: 90°
• β: 107.27 ± 0.04°
• γ: 90°
• Cell volume: 946.7 ± 0.8 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No