Information card for entry 4031972

Structure parameters

• Formula: C24 H25 Cl N2 O4
• Calculated formula: C24 H25 Cl N2 O4
• SMILES: Clc1ccc(cc1)[C@H]1N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(C)(C)C)C(=O)OC
• Title of publication: Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives.
• Authors of publication: Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 3752 - 3760
• a: 21.203 ± 0.004 Å
• b: 5.8478 ± 0.0009 Å
• c: 20.613 ± 0.004 Å
• α: 90°
• β: 118.361 ± 0.012°
• γ: 90°
• Cell volume: 2249.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No