Information card for entry 4124232

Structure parameters

• Formula: C28 H26 N2 O5 S
• Calculated formula: C28 H26 N2 O5 S
• SMILES: S(=O)(=O)(N1C(=C(C[C@]21c1c(N(C2=O)C)cccc1)C(=O)OCC)c1ccccc1)c1ccc(cc1)C
• Title of publication: Enantioselective [4 + 1] Annulation Reactions of α-Substituted Ammonium Ylides To Construct Spirocyclic Oxindoles.
• Authors of publication: Zheng, Peng-Fei; Ouyang, Qin; Niu, Sheng-Li; Shuai, Li; Yuan, Yi; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9390 - 9399
• a: 8.6152 ± 0.0006 Å
• b: 9.5235 ± 0.0005 Å
• c: 32.448 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.3 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.1008
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No