Information card for entry 1503181

Structure parameters

• Formula: C17 H25 N O5
• Calculated formula: C17 H25 N O5
• SMILES: C1(=O)C(c2ccccc2N1)(COOC(C)(C)C)OOC(C)(C)C
• Title of publication: Palladium-catalyzed tandem diperoxidation/C-H activation resulting in diperoxy-oxindole in air.
• Authors of publication: An, Guanghui; Zhou, Wei; Zhang, Guangqian; Sun, Hao; Han, Jianlin; Pan, Yi
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4482 - 4485
• a: 11.4665 ± 0.0013 Å
• b: 7.9203 ± 0.0009 Å
• c: 19.816 ± 0.002 Å
• α: 90°
• β: 95.306 ± 0.002°
• γ: 90°
• Cell volume: 1791.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No