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Information card for entry 7234295
Preview
| Coordinates | 7234295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H28 Cl3 N3 O2 |
|---|---|
| Calculated formula | C42 H28 Cl3 N3 O2 |
| SMILES | ClC(Cl)Cl.O=C1N(C)C(=O)C(=C1c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1 |
| Title of publication | A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour |
| Authors of publication | Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7267 - 7271 |
| a | 9.0205 ± 0.0003 Å |
| b | 10.9629 ± 0.0003 Å |
| c | 17.9974 ± 0.0006 Å |
| α | 78.085 ± 0.003° |
| β | 82.277 ± 0.003° |
| γ | 80.414 ± 0.003° |
| Cell volume | 1707.87 ± 0.1 Å3 |
| Cell temperature | 284 ± 2 K |
| Ambient diffraction temperature | 284 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7234295.cif |
| 219011 | 2019-10-02 | cif/ Adding structures of 7234294, 7234295, 7234296 via cif-deposit CGI script. |
7234295.cif |
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Users of the data should acknowledge the original authors of the
structural data.