Information card for entry 7151720

Structure parameters

• Formula: C16 H9 F10 N5 O
• Calculated formula: C16 H9 F10 N5 O
• Title of publication: Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.
• Authors of publication: Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1972 - 1979
• a: 16.012 ± 0.01 Å
• b: 11.932 ± 0.007 Å
• c: 19.682 ± 0.012 Å
• α: 90°
• β: 104.571 ± 0.008°
• γ: 90°
• Cell volume: 3639 ± 4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No