Information card for entry 7159531

Structure parameters

• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: O1c2ccccc2N2[C@H](c3c1cccc3)[C@](C)(C2=O)c1ccccc1.O1c2ccccc2N2[C@@H](c3c1cccc3)[C@@](C)(C2=O)c1ccccc1
• Title of publication: Synthesis of tetracyclic dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine-fused β-lactams <i>via</i> visible-light-induced Staudinger annulation.
• Authors of publication: Wang, Jiao-Mei; Zhao, Yu; Li, Wen-Ping; Kong, Xiang-Jun; Yao, Chang-Sheng; Zhang, Kai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 35
• Pages of publication: 7106 - 7114
• a: 9.941 ± 0.003 Å
• b: 15.496 ± 0.004 Å
• c: 10.942 ± 0.003 Å
• α: 90°
• β: 95.198 ± 0.003°
• γ: 90°
• Cell volume: 1678.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No