Information card for entry 7128894

Structure parameters

• Formula: C14 H15 F3 N O3
• Calculated formula: C14 H15 F3 N O3
• 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: 14.5103 ± 0.0009 Å
• b: 10.8097 ± 0.0007 Å
• c: 9.4091 ± 0.0005 Å
• α: 90°
• β: 93.534 ± 0.006°
• γ: 90°
• Cell volume: 1473.03 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.3419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No