Information card for entry 4506584

Structure parameters

• Formula: C27 H39 N O3 Si
• Calculated formula: C27 H39 N O3 Si
• 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: 12.6433 ± 0.0004 Å
• b: 13.8501 ± 0.0004 Å
• c: 14.684 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2571.33 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No