Information card for entry 7112371

Structure parameters

• Formula: C28 H31 N3 O5 S
• Calculated formula: C28 H31 N3 O5 S
• SMILES: S(C1(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c(NC1=O)cccc2)c1cc2c(cc1)cccc2
• Title of publication: Organocatalytic asymmetric synthesis of 3,3-disubstituted oxindoles featuring two heteroatoms at the C3 position.
• Authors of publication: Zhou, Feng; Zeng, Xing-Ping; Wang, Chao; Zhao, Xiao-Li; Zhou, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 2022 - 2024
• a: 13.8796 ± 0.001 Å
• b: 23.196 ± 0.0017 Å
• c: 8.6991 ± 0.0006 Å
• α: 90°
• β: 96 ± 0.002°
• γ: 90°
• Cell volume: 2785.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108910
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No