Information card for entry 1556187

Structure parameters

• Formula: C34 H26 F N O4 S2
• Calculated formula: C34 H26 F N O4 S2
• SMILES: S(=O)(=O)(C(S(=O)(=O)c1ccccc1)(F)[C@@H](c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Highly enantioselective monofluoromethylation of C2-arylindoles using FBSM under chiral phase-transfer catalysis.
• Authors of publication: Matsuzaki, Kohei; Furukawa, Tatsuya; Tokunaga, Etsuko; Matsumoto, Takashi; Shiro, Motoo; Shibata, Norio
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3282 - 3285
• a: 9.5437 ± 0.0016 Å
• b: 15.151 ± 0.003 Å
• c: 10.6193 ± 0.0019 Å
• α: 90°
• β: 111.641 ± 0.008°
• γ: 90°
• Cell volume: 1427.3 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No