Information card for entry 1513950

Structure parameters

• Formula: C11 H9 F3 N2 O
• Calculated formula: C11 H9 F3 N2 O
• SMILES: FC(F)(F)C(=N\O)\c1c2c(n(c1)C)cccc2
• Title of publication: A direct copper-promoted three-component entry to trifluoromethylketoximes.
• Authors of publication: Wang, Shuai; Nie, Jing; Zheng, Yan; Ma, Jun-An
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1606 - 1609
• a: 7.8552 ± 0.0008 Å
• b: 5.5784 ± 0.0006 Å
• c: 24.405 ± 0.003 Å
• α: 90°
• β: 93.577 ± 0.002°
• γ: 90°
• Cell volume: 1067.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No