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Information card for entry 7112052
Preview
| Coordinates | 7112052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H20 N2 O |
|---|---|
| Calculated formula | C27 H20 N2 O |
| SMILES | o1c2ccccc2nc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 |
| Title of publication | A triphenylamine-based benzoxazole derivative as a high-contrast piezofluorochromic material induced by protonation |
| Authors of publication | Pengchong Xue; Peng Chen; Junhui Jia; Qiuxia Xu; Jiabao Sun; Boqi Yao; Zhenqi Zhang; Ran Lu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2569 |
| a | 8.1562 ± 0.0016 Å |
| b | 14.302 ± 0.003 Å |
| c | 16.983 ± 0.003 Å |
| α | 90° |
| β | 97.22 ± 0.03° |
| γ | 90° |
| Cell volume | 1965.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0621 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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