Information card for entry 4032029

Structure parameters

• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3
• SMILES: O=C1N(c2c(cccc2)C1(OOC(C)(C)C)Cc1ccc(cc1)C)C
• Title of publication: Cobalt-Catalyzed Peroxidation of 2-Oxindoles with Hydroperoxides.
• Authors of publication: Kong, De-Long; Cheng, Liang; Yue, Tao; Wu, Hong-Ru; Feng, Wei-Chun; Wang, Dong; Liu, Li
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 13
• Pages of publication: 5337 - 5344
• a: 9.368 ± 0.002 Å
• b: 15.869 ± 0.004 Å
• c: 12.83 ± 0.003 Å
• α: 90°
• β: 93.658 ± 0.003°
• γ: 90°
• Cell volume: 1903.4 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No