Information card for entry 7127826

Structure parameters

• Formula: C21 H23 N O4 S
• Calculated formula: C21 H23 N O4 S
• Title of publication: Catalytic asymmetric oxidative carbonylation-induced kinetic resolution of sterically hindered benzylamines to chiral isoindolinones.
• Authors of publication: Mu, Qiu-Qi; Nie, Yi-Xue; Li, Hang; Bai, Xing-Feng; Liu, Xue-Wei; Xu, Zheng; Xu, Li-Wen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 14
• Pages of publication: 1778 - 1781
• a: 6.8902 ± 0.0004 Å
• b: 11.3752 ± 0.0007 Å
• c: 12.5546 ± 0.0008 Å
• α: 77.459 ± 0.002°
• β: 83.636 ± 0.002°
• γ: 81.818 ± 0.002°
• Cell volume: 947.48 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0378
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No