Information card for entry 7151722

Structure parameters

• Formula: C36 H22 F10 N5 O6
• Calculated formula: C36 H22 F10 N5 O6
• 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: 6.8654 ± 0.0013 Å
• b: 34.567 ± 0.006 Å
• c: 7.138 ± 0.0014 Å
• α: 90°
• β: 98.565 ± 0.004°
• γ: 90°
• Cell volume: 1675.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No