Information card for entry 7156574

Structure parameters

• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• Title of publication: Hydroximoyl fluorides as the precursors of nitrile oxides: synthesis, stability and [3 + 2]-cycloaddition with alkynes.
• Authors of publication: Gao, Feng-Teng; Fang, Zheng; Su, Rui-Rui; Rui, Pei-Xin; Hu, Xiang-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 9211 - 9217
• a: 9.4496 ± 0.0008 Å
• b: 14.01 ± 0.0008 Å
• c: 13.9414 ± 0.0011 Å
• α: 90°
• β: 106.26 ± 0.008°
• γ: 90°
• Cell volume: 1771.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No