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Information card for entry 1550728
Preview
| Coordinates | 1550728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H24 N2 O2 S |
|---|---|
| Calculated formula | C36 H24 N2 O2 S |
| SMILES | S(=O)(=O)(c1c(n2c3ccccc3c3ccccc23)cccc1)c1ccccc1n1c2ccccc2c2ccccc12 |
| Title of publication | Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection |
| Authors of publication | Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao |
| Journal of publication | Materials Horizons |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 1215 |
| a | 15.1171 ± 0.0003 Å |
| b | 10.6355 ± 0.0003 Å |
| c | 39.0096 ± 0.0009 Å |
| α | 90° |
| β | 94.405 ± 0.002° |
| γ | 90° |
| Cell volume | 6253.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1469 |
| Residual factor for significantly intense reflections | 0.1248 |
| Weighted residual factors for significantly intense reflections | 0.3187 |
| Weighted residual factors for all reflections included in the refinement | 0.3354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.273 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1550728.cif |
| 225364 | 2019-11-08 | cif/ Updating files of 1550727, 1550728 Original log message: Adding full bibliography for 1550727--1550728.cif. |
1550728.cif |
| 214062 | 2019-03-09 | cif/ Adding structures of 1550727, 1550728 via cif-deposit CGI script. |
1550728.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.