Information card for entry 1552163

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: COc1cc2ccc(cc2cc1)[C@]1(C(=O)N(C(=O)C1)OC)C
• Title of publication: Cu-catalyzed Oxygenation of Alkene-tethered Amides with O2 via Unactivated C=C Bond Cleavage: A Direct Approach to Cyclic Imides
• Authors of publication: Li, Junhua; Wei, Jialiang; Zhu, Bencong; Wang, Teng; Jiao, Ning
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 6.2462 ± 0.0005 Å
• b: 7.5477 ± 0.0006 Å
• c: 31.123 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1467.28 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No