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Information card for entry 7229153
Preview
| Coordinates | 7229153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 B F4 N4 O2 S |
|---|---|
| Calculated formula | C27 H23 B F4 N4 O2 S |
| SMILES | S(=O)(=O)(NCc1n(n[n+](c1)Cc1ccccc1)C)c1c2c3c4c(ccc3cc1)cccc4cc2.[B](F)(F)(F)[F-] |
| Title of publication | Fluorescent triazolium for sensing fluoride anions in semi-aqueous solution |
| Authors of publication | Wang, Bin-Yong; Chen, Zhi-Qiang; Huang, Hongwei; Cao, Qian-Yong |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 69 |
| Pages of publication | 43950 |
| a | 10.495 ± 0.003 Å |
| b | 10.849 ± 0.003 Å |
| c | 12.002 ± 0.004 Å |
| α | 93.109 ± 0.007° |
| β | 103.855 ± 0.007° |
| γ | 104.76 ± 0.008° |
| Cell volume | 1273.3 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1496 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.2497 |
| Weighted residual factors for all reflections included in the refinement | 0.2924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200820 (current) | 2017-09-13 | cif/ Adding structures of 7229153 via cif-deposit CGI script. |
7229153.cif |
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Users of the data should acknowledge the original authors of the
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