Information card for entry 7155340

Structure parameters

• Formula: C31 H36 N2 O6
• Calculated formula: C31 H36 N2 O6
• SMILES: N1(C(=O)[C@@]2(c3ccccc13)[C@@H]([C@](N1CCc3ccccc3[C@H]21)(C=O)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.
• Authors of publication: Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 778 - 781
• a: 9.9835 ± 0.0014 Å
• b: 12.2707 ± 0.0016 Å
• c: 23.46 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2874 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1975
• Residual factor for significantly intense reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.3905
• Weighted residual factors for all reflections included in the refinement: 0.401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.778
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No