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Information card for entry 7231876
Preview
Coordinates | 7231876.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 N9 O10 S |
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Calculated formula | C27 H31 N9 O10 S |
Title of publication | Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies |
Authors of publication | Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 69 |
Pages of publication | 39394 |
a | 10.7261 ± 0.0005 Å |
b | 12.0465 ± 0.0006 Å |
c | 14.5821 ± 0.0005 Å |
α | 83.686 ± 0.003° |
β | 74.878 ± 0.004° |
γ | 79.38 ± 0.004° |
Cell volume | 1783.97 ± 0.14 Å3 |
Cell temperature | 296.31 ± 0.1 K |
Ambient diffraction temperature | 296.31 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1897 |
Weighted residual factors for all reflections included in the refinement | 0.2026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231876.html
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Users of the data should acknowledge the original authors of the
structural data.