Information card for entry 7105252

Structure parameters

• Formula: C26 H21 Cl N2 O8
• Calculated formula: C26 H21 Cl N2 O8
• SMILES: Clc1ccc(cc1)[C@]1(N[C@H](c2ccc(N(=O)=O)cc2)c2c1c(OC(=O)C)ccc2OC(=O)C)C(=O)OC
• 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: 7.965 ± 0.005 Å
• b: 30.381 ± 0.005 Å
• c: 10.583 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.631 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2508 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No