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Information card for entry 7058750
Preview
Coordinates | 7058750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24.5 F6 K N O9 P |
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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 Å3 |
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 |
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