Information card for entry 4032736

Structure parameters

• Formula: C34 H33 Cl N2 O8
• Calculated formula: C34 H33 Cl N2 O8
• SMILES: Clc1ccc2O[C@H]([C@@H](N(=O)=O)[C@H](CC(=C3\c4c(N(C(=O)OC(C)(C)C)C3=O)cccc4)\c3ccccc3)c2c1)CC(=O)OCC
• Title of publication: Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.
• Authors of publication: Feng, Junjun; Li, Xin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 14
• Pages of publication: 7317 - 7323
• a: 11.2475 ± 0.0008 Å
• b: 11.963 ± 0.0009 Å
• c: 23.4408 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3154 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No