Information card for entry 1503182

Structure parameters

• Formula: C29 H25 N3 O5 S
• Calculated formula: C29 H25 N3 O5 S
• SMILES: S1c2c(C(=C(C#N)C#N)[C@H]([C@@]3(c4c(N(C3=O)C(=O)OC(C)(C)C)cccc4)C(=C)C(=O)OC)C1)cccc2
• Title of publication: Organocatalytic and electrophilic approach to oxindoles with C3-quaternary stereocenters.
• Authors of publication: Peng, Jing; Huang, Xin; Cui, Hai-Lei; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4260 - 4263
• a: 10.6109 ± 0.0009 Å
• b: 11.3274 ± 0.001 Å
• c: 22.798 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2740.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No