Information card for entry 7112411

Structure parameters

• Formula: C19 H20 Cl3 N O4
• Calculated formula: C19 H20 Cl3 N O4
• SMILES: ClC(Cl)(Cl)C(=O)C[C@H](c1ccccc1)[C@H]1N(C(=O)C=C1)C(=O)OC(C)(C)C
• Title of publication: Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.
• Authors of publication: Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 81
• Pages of publication: 9329 - 9331
• a: 11.6604 ± 0.001 Å
• b: 11.6604 ± 0.001 Å
• c: 27.212 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3204.2 ± 0.5 ų
• Cell temperature: 295.9 ± 0.1 K
• Ambient diffraction temperature: 295.9 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No