Information card for entry 1519657

Structure parameters

• Formula: C24 H28 Cl N O7
• Calculated formula: C24 H28 Cl N O7
• SMILES: Clc1ccc([C@@H]2N(O[C@H](OCC)CCC2(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)cc1.Clc1ccc([C@H]2N(O[C@@H](OCC)CCC2(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)cc1
• Title of publication: Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.
• Authors of publication: Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2680 - 2683
• a: 10.5446 ± 0.0012 Å
• b: 9.5462 ± 0.001 Å
• c: 24.575 ± 0.003 Å
• α: 90°
• β: 91.778 ± 0.002°
• γ: 90°
• Cell volume: 2472.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No