Information card for entry 7156569

Structure parameters

• Formula: C2.3 H2.15 N0.15 O0.44
• Calculated formula: C2.2963 H2.14815 N0.148148 O0.444444
• Title of publication: Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.
• Authors of publication: Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 8927 - 8932
• a: 8.4217 ± 0.0006 Å
• b: 17.9017 ± 0.0012 Å
• c: 18.0406 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2719.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.1
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No