Information card for entry 4036677

Structure parameters

• Formula: C22 H27 N3 O5 S
• Calculated formula: C22 H27 N3 O5 S
• Title of publication: Organocatalytic Asymmetric Mannich Reaction of 3-Hydroxyoxindoles/3-Aminooxindoles with in Situ Generated N-Boc-Protected Aldimines for the Synthesis of Vicinal Oxindole-Diamines/Amino Alcohols.
• Authors of publication: Shan, Jing; Cui, Baodong; Wang, Yu; Yang, Chengli; Zhou, Xiaojian; Han, Wenyong; Chen, Yongzheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 13
• Pages of publication: 5270 - 5277
• a: 11.9327 ± 0.0006 Å
• b: 12.6785 ± 0.0007 Å
• c: 17.6556 ± 0.0009 Å
• α: 90°
• β: 109.402 ± 0.002°
• γ: 90°
• Cell volume: 2519.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No