Information card for entry 4117434

Structure parameters

• Formula: C19 H22 N2 O2 S
• Calculated formula: C19 H22 N2 O2 S
• SMILES: S(=O)(N=C(N(C)C)C(=O)c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines
• Authors of publication: Nicklas Selander; Valery V. Fokin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2477 - 2480
• a: 8.974 ± 0.0007 Å
• b: 8.3505 ± 0.0007 Å
• c: 12.4633 ± 0.001 Å
• α: 90°
• β: 108.856 ± 0.001°
• γ: 90°
• Cell volume: 883.84 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No