Information card for entry 7126993

Structure parameters

• Formula: C28 H30 N2 O6
• Calculated formula: C28 H30 N2 O6
• Title of publication: Enantioselective and regioselective aza-Friedel-Crafts reaction of electron-rich phenols with isatin-derived ketimines.
• Authors of publication: Cai, Liu; Liu, Xiangshuai; Wang, Jie; Chen, Li; Li, Xin; Cheng, Jin-Pei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 71
• Pages of publication: 10361 - 10364
• a: 8.5125 ± 0.0001 Å
• b: 16.338 ± 0.0001 Å
• c: 17.8809 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2486.83 ± 0.04 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 4
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No