Information card for entry 7114069

Structure parameters

• Common name: pentafluorophenyl alpha-diimine
• Formula: C16 H6 F10 N2
• Calculated formula: C16 H6 F10 N2
• SMILES: C(=N\c1c(c(c(c(c1F)F)F)F)F)(C)/C(=N/c1c(c(c(c(c1F)F)F)F)F)C
• 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: 6.3833 ± 0.0013 Å
• b: 7.7232 ± 0.0015 Å
• c: 8.2726 ± 0.0017 Å
• α: 91.79 ± 0.03°
• β: 107.64 ± 0.03°
• γ: 103.1 ± 0.03°
• Cell volume: 376.34 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No