Information card for entry 7157484

Structure parameters

• Formula: C22 H23 Cl N2 O3
• Calculated formula: C22 H23 Cl N2 O3
• SMILES: c1c(cccc1[C@@H]1[C@]2(C(=O)Nc3c2cccc3)[C@H]([C@H](C(=O)OC)N1)C(C)C)Cl
• Title of publication: Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.
• Authors of publication: Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3740 - 3746
• a: 24.1998 ± 0.0014 Å
• b: 12.37 ± 0.0006 Å
• c: 9.5879 ± 0.0006 Å
• α: 90°
• β: 119.944 ± 0.008°
• γ: 90°
• Cell volume: 2487 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No