Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234901
Preview
| Coordinates | 7234901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H17 F3 N2 O5 |
|---|---|
| Calculated formula | C29 H17 F3 N2 O5 |
| SMILES | Fc1ccc(c2nc(n(c2c2ccc(F)cc2)c2cc(cc(C(=O)O)c2)C(=O)O)c2cc(F)ccc2O)cc1 |
| Title of publication | A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule |
| Authors of publication | Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 6962 - 6966 |
| a | 14.8457 ± 0.0002 Å |
| b | 20.0452 ± 0.0003 Å |
| c | 16.2309 ± 0.0002 Å |
| α | 90° |
| β | 104.788 ± 0.001° |
| γ | 90° |
| Cell volume | 4670.09 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0612 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71 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. |
7234901.cif |
| 222461 | 2019-11-04 | cif/ Adding structures of 7234897, 7234898, 7234899, 7234900, 7234901, 7234902 via cif-deposit CGI script. |
7234901.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.