Information card for entry 4105480

Structure parameters

• Formula: C17 H19 N O2 S
• Calculated formula: C17 H19 N O2 S
• SMILES: S(=O)(=O)(NC[C@]1(C[C@@H]1c1ccccc1)c1ccccc1)C
• Title of publication: Rhodium-Catalyzed Enantioselective Cyclopropanation of Olefins with N-Sulfonyl 1,2,3-Triazoles
• Authors of publication: Stepan Chuprakov; Sen Wai Kwok; Li Zhang; Lukas Lercher; Valery V. Fokin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18034 - 18035
• a: 5.4264 ± 0.0005 Å
• b: 8.6712 ± 0.0007 Å
• c: 32.044 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1507.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No