Information card for entry 7156126

Structure parameters

• Formula: C26 H22 N2 O3
• Calculated formula: C26 H22 N2 O3
• SMILES: O=CN1[C@@]2(Oc3c([C@H]([C@]41C(=O)N(CC)c1c4cccc1)C2)cccc3)c1ccccc1
• Title of publication: Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.
• Authors of publication: Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1751 - 1759
• a: 10.4093 ± 0.0012 Å
• b: 6.2017 ± 0.0007 Å
• c: 15.4242 ± 0.0017 Å
• α: 90°
• β: 92.398 ± 0.002°
• γ: 90°
• Cell volume: 994.84 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0366
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No