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Information card for entry 7226052
Preview
| Coordinates | 7226052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 Br N O3 |
|---|---|
| Calculated formula | C19 H18 Br N O3 |
| SMILES | Brc1cc2c(oc(c3ccc(N(CC)CC)cc3)c(O)c2=O)cc1 |
| Title of publication | 3-hydroxyflavone derivatives synthesized by a new simple method as chemosensors for cyanide anions |
| Authors of publication | Wu, Qianqian; Wang, Zian; Li, Jiale; Qiu, Shuang; Cao, Duxia; Liu, Zhiqiang; Guan, Ruifang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 13.3522 ± 0.0019 Å |
| b | 13.823 ± 0.003 Å |
| c | 9.515 ± 0.002 Å |
| α | 90° |
| β | 92.847 ± 0.018° |
| γ | 90° |
| Cell volume | 1754 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1509 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184688 (current) | 2016-07-27 | cif/ Adding structures of 7226052, 7226053 via cif-deposit CGI script. |
7226052.cif |
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Users of the data should acknowledge the original authors of the
structural data.