Information card for entry 7112296

Structure parameters

• Formula: C36 H40 N2 O3 S
• Calculated formula: C36 H40 N2 O3 S
• SMILES: S(N[C@@]1(C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c1cccc2)[C@@H](C)C=C)(C(C)(C)C)=O.OC
• Title of publication: Zn-mediated asymmetric allylation of N-tert-butanesulfinyl ketimines: an efficient and practical access to chiral quaternary 3-aminooxindoles.
• Authors of publication: Chen, Diao; Xu, Ming-Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 1327 - 1329
• a: 9.3474 ± 0.0011 Å
• b: 11.7017 ± 0.0018 Å
• c: 28.722 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3141.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108837
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No