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Information card for entry 1566006
Preview
| Coordinates | 1566006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N2 O5 |
|---|---|
| Calculated formula | C21 H20 N2 O5 |
| SMILES | c1(c(c2ccccc2cc1)/C=N/OCCO/N=C/c1c(cc(cc1)OC)O)O |
| Title of publication | A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography |
| Authors of publication | Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2022 |
| Journal volume | 529 |
| Pages of publication | 120642 |
| a | 28.4132 ± 0.0018 Å |
| b | 4.957 ± 0.0003 Å |
| c | 25.9948 ± 0.0012 Å |
| α | 90° |
| β | 91.098 ± 0.004° |
| γ | 90° |
| Cell volume | 3660.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272095 (current) | 2022-01-18 | cif/ Adding structures of 1566006, 1566007 via cif-deposit CGI script. |
1566006.cif |
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Users of the data should acknowledge the original authors of the
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