Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1554242
Preview
| Coordinates | 1554242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H17 N3 O3 |
|---|---|
| Calculated formula | C23 H17 N3 O3 |
| SMILES | OC.n1c2c(nc(c1c1ccccc1)c1ccccc1)cc1C(=O)NC(=O)c1c2 |
| Title of publication | An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system |
| Authors of publication | He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 50 |
| a | 10.83 ± 0.008 Å |
| b | 7.65 ± 0.006 Å |
| c | 12.063 ± 0.009 Å |
| α | 90° |
| β | 103.07 ± 0.03° |
| γ | 90° |
| Cell volume | 973.5 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554242.cif |
| 237054 | 2019-11-24 | cif/ Adding structures of 1554242 via cif-deposit CGI script. |
1554242.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.