Information card for entry 4506582

Structure parameters

• Formula: C21 H27 N O3 Si
• Calculated formula: C21 H27 N O3 Si
• SMILES: [Si](O)([C@@H]1N(CCC1)C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
• Authors of publication: Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1661
• a: 11.7148 ± 0.0005 Å
• b: 6.9828 ± 0.0003 Å
• c: 13.444 ± 0.0006 Å
• α: 90°
• β: 114.935 ± 0.001°
• γ: 90°
• Cell volume: 997.24 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No