Information card for entry 7155341

Structure parameters

• Formula: C39 H44 N2 O7
• Calculated formula: C39 H44 N2 O7
• SMILES: N1(C(=O)[C@@]2(c3ccccc13)[C@@H](C(=CN1CCc3cc(OC)c(OC)cc3[C@H]21)Cc1ccccc1)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: 22.0361 ± 0.001 Å
• b: 8.9726 ± 0.0004 Å
• c: 18.4215 ± 0.0008 Å
• α: 90°
• β: 98.967 ± 0.003°
• γ: 90°
• Cell volume: 3597.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2925
• Weighted residual factors for all reflections included in the refinement: 0.3097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No