Information card for entry 7118560

Structure parameters

• Formula: C36 H34 N4 O8
• Calculated formula: C36 H34 N4 O8
• SMILES: O=C1N(c2c([C@@]31NC([C@H](N3c1ccc(OC)cc1)c1ccc(N(=O)=O)cc1)(C(=O)OCC)C(=O)OCC)cccc2)Cc1ccccc1
• Title of publication: Catalytic asymmetric chemoselective 1,3-dipolar cycloadditions of an azomethine ylide with isatin-derived imines: diastereo- and enantioselective construction of a spiro[imidazolidine-2,3'-oxindole] framework.
• Authors of publication: Wang, Yue-Ming; Zhang, Hong-Hao; Li, Can; Fan, Tao; Shi, Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 1804 - 1807
• a: 7.9612 ± 0.0001 Å
• b: 24.5627 ± 0.0004 Å
• c: 16.5897 ± 0.0003 Å
• α: 90°
• β: 90.823 ± 0.001°
• γ: 90°
• Cell volume: 3243.76 ± 0.09 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No