Information card for entry 1508798

Structure parameters

• Formula: C23 H24 Cl N O4
• Calculated formula: C23 H24 Cl N O4
• SMILES: c1ccccc1C[C@@]1(C(=O)OC)[C@@H]([C@@H]([C@H](c2ccc(cc2)Cl)N1)C(=O)C)C(=O)C.c1ccccc1C[C@]1(C(=O)OC)[C@H]([C@H]([C@@H](c2ccc(cc2)Cl)N1)C(=O)C)C(=O)C
• Title of publication: A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.
• Authors of publication: He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6230 - 6233
• a: 8.9427 ± 0.0014 Å
• b: 24.682 ± 0.004 Å
• c: 9.8606 ± 0.0016 Å
• α: 90°
• β: 97.843 ± 0.002°
• γ: 90°
• Cell volume: 2156.1 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No