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Information card for entry 7241390
Preview
| Coordinates | 7241390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 O4 |
|---|---|
| Calculated formula | C16 H14 O4 |
| SMILES | O(C)c1cc(O)c(C(=O)/C=C/c2ccccc2O)cc1 |
| Title of publication | Hydroxychalcone dyes that serve as color indicators for pH and fluoride ions |
| Authors of publication | Du, Yanqing; Liang, Fengying; Hu, Mixia; Bu, Ren; Wang, Meiling; Tsuda, Akihiko; Eerdun, Chaolu |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 61 |
| Pages of publication | 37463 - 37472 |
| a | 13.1097 ± 0.0007 Å |
| b | 8.0041 ± 0.0005 Å |
| c | 14.2334 ± 0.0008 Å |
| α | 90° |
| β | 117.105 ± 0.003° |
| γ | 90° |
| Cell volume | 1329.5 ± 0.14 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1583 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258326 (current) | 2020-10-13 | cif/ Adding structures of 7241390 via cif-deposit CGI script. |
7241390.cif |
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Users of the data should acknowledge the original authors of the
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