Information card for entry 2232967

Structure parameters

• Common name: Propylammonium naphthoyltrifluoroacetonate
• Chemical name: Propylammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
• Formula: C17 H18 F3 N O2
• Calculated formula: C17 H18 F3 N O2
• Title of publication: Propylammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
• Authors of publication: Fernandes, José A.; Bruno, Sofia M.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3384 - o3385
• a: 16.1038 ± 0.0011 Å
• b: 5.7008 ± 0.0004 Å
• c: 17.2621 ± 0.0011 Å
• α: 90°
• β: 91.497 ± 0.004°
• γ: 90°
• Cell volume: 1584.2 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes