Information card for entry 2017751

Structure parameters

• Chemical name: [(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane
• Formula: C18 H34 B N O2 Si
• Calculated formula: C18 H34 B N O2 Si
• Title of publication: (1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane: novel B—H···H—O hydrogen bonding
• Authors of publication: Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o418 - o420
• a: 7.8078 ± 0.0007 Å
• b: 11.2328 ± 0.001 Å
• c: 23.639 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.2 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes