Information card for entry 1518995

Structure parameters

• Formula: C15 H21 N O4 S
• Calculated formula: C15 H21 N O4 S
• SMILES: S(=O)(=O)(N1[C@@H](CC[C@H](OC(=O)C)C1)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@H](CC[C@@H](OC(=O)C)C1)C)c1ccc(cc1)C
• Title of publication: Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant.
• Authors of publication: Zhu, Haitao; Chen, Pinhong; Liu, Guosheng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1485 - 1488
• a: 16.428 ± 0.006 Å
• b: 13.329 ± 0.005 Å
• c: 14.387 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No