Information card for entry 1503726

Structure parameters

• Formula: C10 H7 F3 N2 O2 S
• Calculated formula: C10 H7 F3 N2 O2 S
• SMILES: S(=O)(=O)(N=n1ccc2c(cccc2)c1)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: 6.808 ± 0.003 Å
• b: 9.009 ± 0.003 Å
• c: 10.357 ± 0.004 Å
• α: 65.29 ± 0.03°
• β: 81.76 ± 0.03°
• γ: 66.58 ± 0.03°
• Cell volume: 529.3 ± 0.4 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No