Information card for entry 4104528

Structure parameters

• Formula: C17 H23 N O2 Si
• Calculated formula: C17 H23 N O2 Si
• SMILES: [Si]([C@]12C(=O)N(C(=O)[C@H](CCC1)C2)c1ccccc1)(C)(C)C
• Title of publication: Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights
• Authors of publication: Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8196 - 8210
• a: 11.071 ± 0.0012 Å
• b: 6.1798 ± 0.0007 Å
• c: 24.568 ± 0.003 Å
• α: 90°
• β: 102.43 ± 0.002°
• γ: 90°
• Cell volume: 1641.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No