Information card for entry 4038568

Structure parameters

• Formula: C27 H28 N2 O6 S
• Calculated formula: C27 H28 N2 O6 S
• Title of publication: Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.
• Authors of publication: Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.98869 ± 0.00017 Å
• b: 11.08896 ± 0.00019 Å
• c: 13.18431 ± 0.00011 Å
• α: 102.245 ± 0.0011°
• β: 101.385 ± 0.0012°
• γ: 115.842 ± 0.0017°
• Cell volume: 1212.66 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No