Information card for entry 7152589

Structure parameters

• Formula: C44 H39 N7 O6
• Calculated formula: C44 H39 N7 O6
• Title of publication: Fluoride-responsive gelator and colorimetric sensor based on simple and easy-to-prepare cyano-substituted amide.
• Authors of publication: Zhang, Yuping; Jiang, Shimei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6973 - 6979
• a: 9.0684 ± 0.0018 Å
• b: 14.326 ± 0.003 Å
• c: 15.214 ± 0.003 Å
• α: 83.83 ± 0.03°
• β: 89.85 ± 0.03°
• γ: 89.66 ± 0.03°
• Cell volume: 1965 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No