Information card for entry 7152658

Structure parameters

• Formula: C25 H31 N O9
• Calculated formula: C25 H31 N O9
• SMILES: O=C(OC(C)(C)C)N1c2c(cccc2)[C@@]2(C1=O)[C@H](O)CC[C@H](C2(C(=O)OCC)C(=O)OCC)C=O
• Title of publication: Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.
• Authors of publication: Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 8794 - 8799
• a: 18.8854 ± 0.0016 Å
• b: 18.8854 ± 0.0016 Å
• c: 12.9167 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3989.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No