Information card for entry 4106928

Structure parameters

• Formula: C16 H24 N2 O5 S
• Calculated formula: C16 H24 N2 O5 S
• Title of publication: Highly Enantioselective γ-Amination of α,β-Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ-Amino Acid Derivatives
• Authors of publication: Li-Tao Shen; Li-Hui Sun; Song Ye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15894 - 15897
• a: 5.886 ± 0.003 Å
• b: 10.628 ± 0.005 Å
• c: 29.381 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No