Information card for entry 7153269

Structure parameters

• Formula: C16 H14 F6 N P
• Calculated formula: C16 H14 F6 N P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n+]1(c2c(cccc2)ccc1)Cc1ccccc1
• Title of publication: A quinolinium-derived turn-off fluorescent anion sensor.
• Authors of publication: Swinburne, Adam N.; Paterson, Martin J.; Beeby, Andrew; Steed, Jonathan W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1010 - 1016
• a: 9.7798 ± 0.0003 Å
• b: 11.4208 ± 0.0003 Å
• c: 15.9407 ± 0.0005 Å
• α: 90°
• β: 122.215 ± 0.001°
• γ: 90°
• Cell volume: 1506.37 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1022
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No