Information card for entry 7103307

Structure parameters

• Common name: (S)-Pinacol-(pyrrolidinium-2-yl)-methylboronic acid chloride
• Chemical name: (S)-Pinacol-(pyrrolidinium-2-yl)-methylboronic acid chloride
• Formula: C11 H23 B Cl N O2
• Calculated formula: C11 H23 B Cl N O2
• Title of publication: The first example of enamine-Lewis acid cooperative bifunctional catalysis: application to the asymmetric aldol reaction.
• Authors of publication: Arnold, Kenny; Batsanov, Andrei S; Davies, Bryan; Grosjean, Christophe; Schütz, Thorben; Whiting, Andrew; Zawatzky, Kerstin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 3879 - 3881
• a: 22.004 ± 0.004 Å
• b: 6.5982 ± 0.0012 Å
• c: 10.0393 ± 0.0019 Å
• α: 90°
• β: 93.683 ± 0.012°
• γ: 90°
• Cell volume: 1454.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No