Information card for entry 1508140

Structure parameters

• Formula: C17 H25 N O2
• Calculated formula: C17 H25 N O2
• SMILES: O[C@H]([C@@](OC(C)(C)C)(CC(C)C)C#N)c1ccccc1
• Title of publication: N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis.
• Authors of publication: Denmark, Scott E.; Wilson, Tyler W.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 937 - 943
• a: 10.2338 ± 0.0007 Å
• b: 6.605 ± 0.0005 Å
• c: 11.9985 ± 0.0008 Å
• α: 90°
• β: 94.388 ± 0.004°
• γ: 90°
• Cell volume: 808.65 ± 0.1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No