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Information card for entry 7226053
Preview
| Coordinates | 7226053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N O5 |
|---|---|
| Calculated formula | C19 H18 N2 O5 |
| SMILES | o1c(c(c(=O)c2c1ccc(c2)N(=O)=O)O)c1ccc(N(CC)CC)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 | 7.0399 ± 0.0007 Å |
| b | 7.3275 ± 0.0007 Å |
| c | 17.4123 ± 0.0017 Å |
| α | 89.658 ± 0.008° |
| β | 82.561 ± 0.008° |
| γ | 76.168 ± 0.008° |
| Cell volume | 864.53 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.098 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
7226053.cif |
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Users of the data should acknowledge the original authors of the
structural data.