Information card for entry 7124488

Structure parameters

• Chemical name: C22H22NO3S2
• Formula: C22 H21 N O3 S2
• Calculated formula: C22 H21 N O3 S2
• Title of publication: Chiral phosphoric acid-catalyzed direct asymmetric mannich reaction of cyclic C-acylimines with simple ketones: facile access to C2-quaternary indolin-3-ones.
• Authors of publication: Li, Jin-Shan; Liu, Yong-Jie; Li, Shen; Ma, Jun-An
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9151 - 9154
• a: 7.9445 ± 0.00009 Å
• b: 10.19612 ± 0.00012 Å
• c: 25.8377 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2092.93 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No