Information card for entry 4106384

Structure parameters

• Formula: C15 H23 N O2 S
• Calculated formula: C15 H23 N O2 S
• SMILES: S(=O)(=O)(NC[C@H](c1ccccc1)C1CCCCC1)C
• Title of publication: Catalytic Asymmetric C-H Insertions of Rhodium(II) Azavinyl Carbenes
• Authors of publication: Stepan Chuprakov; Jamal A. Malik; Mikhail Zibinsky; Valery V. Fokin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10352 - 10355
• a: 9.6087 ± 0.0006 Å
• b: 28.2031 ± 0.0016 Å
• c: 5.4415 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1474.62 ± 0.15 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No