Information card for entry 1555405

Structure parameters

• Formula: C23 H22 Cl N O4
• Calculated formula: C23 H22 Cl N O4
• SMILES: c1(ccc(cc1)[C@@H]1[C@H]2[C@@H]([C@H](C(=O)OC)N1)C(=O)[C@](C2=O)(C)Cc1ccccc1)Cl
• Title of publication: Silver(I)-Catalyzed Enantioselective Desymmetrization of Cyclopentenediones: Access to Highly Functionalized Bicyclic Pyrrolidines.
• Authors of publication: Liu, Hua-Chao; Liu, Kang; Xue, Zhi-Yong; He, Zhao-Lin; Wang, Chun-Jiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5440 - 5443
• a: 25.273 ± 0.003 Å
• b: 6.4369 ± 0.0009 Å
• c: 12.9596 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No