Information card for entry 4034492

Structure parameters

• Formula: C34 H30 N2 O5 S
• Calculated formula: C34 H30 N2 O5 S
• SMILES: S(=O)(=O)(N1C(=C[C@]2(c3cc(OC)ccc3N(C2=O)C)[C@@H](C1=O)Cc1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Asymmetric Synthesis of Spirocyclic Oxindole δ-Lactams via NHC-Catalyzed Formal [2+4] Annulation of Aliphatic Aldehydes with Oxindole-Derived α,β-Unsaturated Ketimines.
• Authors of publication: He, Chonglong; Li, Zhanhuan; Xu, Jianfeng; Ren, Hongjun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 12177 - 12186
• a: 7.1925 ± 0.0001 Å
• b: 19.211 ± 0.0005 Å
• c: 20.7806 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871.36 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No