Information card for entry 7104197

Structure parameters

• Formula: C9 H7 F3 I N O3 S
• Calculated formula: C9 H7 F3 I N O3 S
• SMILES: I(=NS(=O)(=O)C(F)(F)F)c1ccccc1C(=O)C
• Title of publication: Imido transfer of sulfonylimino-lambda3-bromane makes possible the synthesis of sulfonylimino-lambda3-iodanes.
• Authors of publication: Ochiai, Masahito; Nakano, Aiko; Yoshimura, Akira; Miyamoto, Kazunori; Hayashi, Satoko; Nakanishi, Waro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 959 - 961
• a: 10.1845 ± 0.0003 Å
• b: 19.9169 ± 0.0005 Å
• c: 5.9157 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1199.96 ± 0.06 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No