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Information card for entry 7234112
Preview
| Coordinates | 7234112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H30 N2 |
|---|---|
| Calculated formula | C33 H30 N2 |
| SMILES | N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(/C=C/c2c3c(cc4c2cccc4)cccc3)cc1 |
| Title of publication | Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics |
| Authors of publication | Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 1994 - 2002 |
| a | 13.74 ± 0.005 Å |
| b | 12.487 ± 0.005 Å |
| c | 15.071 ± 0.006 Å |
| α | 90° |
| β | 100.349 ± 0.005° |
| γ | 90° |
| Cell volume | 2543.7 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234112.cif |
| 218779 | 2019-09-24 | cif/ Adding structures of 7234112 via cif-deposit CGI script. |
7234112.cif |
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Users of the data should acknowledge the original authors of the
structural data.