Information card for entry 4107850

Structure parameters

• Formula: C14 H30 B N O3 S
• Calculated formula: C14 H30 B N O3 S
• Title of publication: Asymmetric Copper-Catalyzed Synthesis of α-Amino Boronate Esters from N-tert-Butanesulfinyl Aldimines
• Authors of publication: Melissa A. Beenen; Chihui An; Jonathan A. Ellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6910 - 6911
• a: 15.674 ± 0.001 Å
• b: 17.967 ± 0.001 Å
• c: 6.3228 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.59 ± 0.19 ų
• Cell temperature: 178.2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 2.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No