Information card for entry 7106376

Structure parameters

• Formula: C32 H32 Cl N O7
• Calculated formula: C32 H32 Cl N O7
• SMILES: c1(ccc(cc1)[C@@H]1[C@](C[C@H](C(=O)OC)N1C(=O)c1ccccc1)(COC(=O)c1ccccc1)C(=O)OC(C)(C)C)Cl
• Title of publication: Morita-Baylis-Hillman adducts as effective dipolarophiles in Copper(I)-catalyzed 1,3-dipolar cycloaddition with azomethine ylides: asymmetric construction of pyrrolidine derivatives containing quaternary stereogenic center
• Authors of publication: Huai-Long Teng; He Huang; Hai-Yan Tao; Chun-Jiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5494
• a: 19.401 ± 0.003 Å
• b: 24 ± 0.003 Å
• c: 6.6143 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3079.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No