Information card for entry 4506583

Structure parameters

• Formula: C23 H32 F3 N O4 S Si
• Calculated formula: C23 H32 F3 N O4 S Si
• SMILES: [Si](O)([C@@H]1[NH2+]CCC1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 8.52 ± 0.0002 Å
• b: 8.5557 ± 0.0002 Å
• c: 33.4637 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.32 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No