Information card for entry 1567648

Structure parameters

• Chemical name: tert-Butyl (R)-(1-([1,1'-biphenyl]-4-yl)-2-oxo-2-phenylethyl)carbamate
• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• Title of publication: Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter.
• Authors of publication: Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 11648 - 11655
• a: 10.5777 ± 0.0002 Å
• b: 41.8595 ± 0.0007 Å
• c: 10.6059 ± 0.0002 Å
• α: 90°
• β: 115.198 ± 0.001°
• γ: 90°
• Cell volume: 4249.18 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No