Information card for entry 1516623

Structure parameters

• Formula: C15 H6 F19 N O2
• Calculated formula: C15 H6 F19 N O2
• SMILES: [nH+]1ccccc1.[O-]C(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Title of publication: Extraction of pyridines into fluorous solvents based on hydrogen bond complex formation with carboxylic acid receptors.
• Authors of publication: O'Neal, Kristi L; Geib, Steven; Weber, Stephen G.
• Journal of publication: Analytical chemistry
• Year of publication: 2007
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 3117 - 3125
• a: 9.777 ± 0.002 Å
• b: 10.96 ± 0.002 Å
• c: 19.356 ± 0.004 Å
• α: 96.59 ± 0.03°
• β: 100.37 ± 0.03°
• γ: 91.1 ± 0.03°
• Cell volume: 2025.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.1669
• Weighted residual factors for significantly intense reflections: 0.4511
• Weighted residual factors for all reflections included in the refinement: 0.4582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No