Information card for entry 7114070

Structure parameters

• Common name: pentafluorophenyl beta-aminoenone
• Formula: C11 H8 F5 N O
• Calculated formula: C11 H8 F5 N O
• SMILES: Fc1c(N\C(=C/C(=O)C)C)c(F)c(F)c(F)c1F
• Title of publication: Dialkyl aluminium amides: new reagents for the conversion of C???O into C???NR functionalitiesElectronic supplementary information (ESI) available: HRMS, 1H and 19F NMR data for 1???9. See http://www.rsc.org/suppdata/cc/b2/b203693b/
• Authors of publication: Gordon, John C.; Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Keogh, D. Webster; Scott, Brian L.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 2710
• a: 10.83 ± 0.005 Å
• b: 8.734 ± 0.005 Å
• c: 11.608 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.433 ± 0.003°
• γ: 90 ± 0.005°
• Cell volume: 1098 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2132
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No