Information card for entry 7126729

Structure parameters

• Formula: C24 H16 F3 N O2
• Calculated formula: C24 H16 F3 N O2
• SMILES: Oc1c(c2c3c(cccc3)ccc2NC(=O)c2ccccc2)cc(cc1)C(F)(F)F
• Title of publication: Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.
• Authors of publication: Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8226 - 8229
• a: 15.0044 ± 0.0008 Å
• b: 8.2203 ± 0.0003 Å
• c: 19.4734 ± 0.001 Å
• α: 90°
• β: 108.91 ± 0.005°
• γ: 90°
• Cell volume: 2272.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0843
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No