Information card for entry 4506585

Structure parameters

• Formula: C16 H20 Cl N O Si
• Calculated formula: C16 H20 Cl N O Si
• SMILES: [Cl-].[Si]([C@@H]1[NH2+]CCC1)(O)(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: 7.5343 ± 0.0003 Å
• b: 8.5707 ± 0.0004 Å
• c: 25.2748 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.1 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No