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Information card for entry 7234900
Preview
| Coordinates | 7234900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H32 F3 N3 O7 |
|---|---|
| Calculated formula | C35 H32 F3 N3 O7 |
| SMILES | n1c(n(c2cc(cc(c2)C(=O)O)C(=O)O)c(c1c1ccc(F)cc1)c1ccc(F)cc1)c1cc(F)ccc1O.N(C=O)(C)C.OC(C)C |
| 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 | 9.1127 ± 0.0003 Å |
| b | 12.7452 ± 0.0007 Å |
| c | 14.6534 ± 0.0009 Å |
| α | 89.06 ± 0.005° |
| β | 89.138 ± 0.004° |
| γ | 69.885 ± 0.004° |
| Cell volume | 1597.79 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
7234900.cif |
| 222461 | 2019-11-04 | cif/ Adding structures of 7234897, 7234898, 7234899, 7234900, 7234901, 7234902 via cif-deposit CGI script. |
7234900.cif |
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Users of the data should acknowledge the original authors of the
structural data.