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Information card for entry 1554093
Preview
| Coordinates | 1554093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 N2 O4 |
|---|---|
| Calculated formula | C26 H24 N2 O4 |
| SMILES | O=C(OC)C1=C(C(=O)OC)CN(c2ccccc2)[C@@H](N1c1ccccc1)c1ccccc1 |
| Title of publication | Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers |
| Authors of publication | Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2017 |
| Journal volume | 121 |
| Journal issue | 45 |
| Pages of publication | 25503 |
| a | 9.65062 ± 0.00013 Å |
| b | 11.62065 ± 0.00013 Å |
| c | 19.4417 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2180.32 ± 0.04 Å3 |
| Cell temperature | 291.25 ± 0.1 K |
| Ambient diffraction temperature | 291.25 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 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. |
1554093.cif |
| 236560 | 2019-11-24 | cif/ Adding structures of 1554093 via cif-deposit CGI script. |
1554093.cif |
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Users of the data should acknowledge the original authors of the
structural data.