Information card for entry 7120833

Structure parameters

• Formula: C21 H19 Cl2 F N4 O
• Calculated formula: C21 H19 Cl2 F N4 O
• Title of publication: cis-Specific cyanofluorination of vinyl azides enabled by electron-donor-acceptor complexes: synthesis of α-azido-β-fluoronitriles
• Authors of publication: Wu, Shu-Wei; Liu, Jia-Li; Liu, Feng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.168 ± 0.005 Å
• b: 26.759 ± 0.009 Å
• c: 9.365 ± 0.003 Å
• α: 90°
• β: 108.96 ± 0.05°
• γ: 90°
• Cell volume: 2172.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.229
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No