Information card for entry 1517867

Structure parameters

• Formula: C27 H22 Cl N O4
• Calculated formula: C27 H20 Cl N O4
• SMILES: c1(ccc(cc1)[C@@H]1C2=C([C@@](C(=O)OC)(Cc3ccccc3)N1)C(=O)c1c(C2=O)cccc1)Cl
• Title of publication: Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.
• Authors of publication: He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5506 - 5507
• a: 12.7827 ± 0.0008 Å
• b: 12.7827 ± 0.0008 Å
• c: 13.7419 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No