Information card for entry 7128893

Structure parameters

• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: O(c1ccc(cc1)NC(=O)CN(c1ccccc1)C(=O)c1ccccc1)C
• Title of publication: Divergent synthesis of α-functionalized amides through selective N-O/C-C or N-O/C-C/C-N cleavage of aza-cyclobutanone oxime esters.
• Authors of publication: Liu, Hua-Wei; Wang, Dian-Liang; Jiang, Nan-Quan; Li, Hai-Yan; Cai, Zhong-Jian; Ji, Shun-Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 75
• Pages of publication: 9618 - 9621
• a: 25.6297 ± 0.0008 Å
• b: 6.39261 ± 0.00018 Å
• c: 12.469 ± 0.0003 Å
• α: 90°
• β: 114.818 ± 0.003°
• γ: 90°
• Cell volume: 1854.26 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No