Information card for entry 7058750

Structure parameters

• Formula: C23 H24.5 F6 K N O9 P
• Calculated formula: C23 H24.5 F6 K N O9 P
• Title of publication: Differences in solubilities, crystal structures, NMR spectra and fluorescence emissions induced by potassium cation/benzo-21-crown-7 molecular recognition
• Authors of publication: Ouyang, Yunyun; Zhang, Yi; Luo, Zheng; Li, Xing; Duan, Abing; Dong, Shengyi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 14299
• a: 13.5206 ± 0.0011 Å
• b: 14.1906 ± 0.0012 Å
• c: 15.6156 ± 0.0016 Å
• α: 90°
• β: 113.509 ± 0.003°
• γ: 90°
• Cell volume: 2747.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.1373
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.2996
• Weighted residual factors for all reflections included in the refinement: 0.3214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No