Information card for entry 4117728

Structure parameters

• Formula: C19 H14 F N O2 S
• Calculated formula: C19 H14 F N O2 S
• SMILES: S1(=O)(=O)N[C@@](c2ccccc2)(c2c1cccc2)c1ccc(F)cc1
• Title of publication: Asymmetric Synthesis of (Triaryl)methylamines by Rhodium-Catalyzed Addition of Arylboroxines to Cyclic N-Sulfonyl Ketimines
• Authors of publication: Takahiro Nishimura; Akira Noishiki; Gavin Chit Tsui; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5056 - 5059
• a: 9.8884 ± 0.0002 Å
• b: 12.4534 ± 0.0003 Å
• c: 14.2131 ± 0.0003 Å
• α: 91.4581 ± 0.0015°
• β: 102.372 ± 0.0015°
• γ: 112.572 ± 0.0014°
• Cell volume: 1567.36 ± 0.06 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No