Information card for entry 7105251

Structure parameters

• Formula: C24 H21 Cl2 N O6
• Calculated formula: C24 H21 Cl2 N O6
• SMILES: Clc1c([C@H]2NC([C@@H]3[C@H]2C(=O)c2c(cccc2)C3=O)(C(=O)OCC)C(=O)OCC)cccc1Cl
• Title of publication: Asymmetric organocatalytic formal double-arylation of azomethines for the synthesis of highly enantiomerically enriched isoindolines
• Authors of publication: Wang, Chao; Chen, Xiao-Hua; Zhou, Shi-Ming; Gong, Liu-Zhu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 1275 - 1277
• a: 8.314 ± 0.005 Å
• b: 22.63 ± 0.005 Å
• c: 12.582 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.055 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2361.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No