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Information card for entry 7056736
Preview
| Coordinates | 7056736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H18 N4 O |
|---|---|
| Calculated formula | C35 H18 N4 O |
| Title of publication | Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB |
| Authors of publication | Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 23 |
| Pages of publication | 14610 - 14617 |
| a | 9.945 ± 0.002 Å |
| b | 10.712 ± 0.002 Å |
| c | 13.518 ± 0.003 Å |
| α | 68.19 ± 0.03° |
| β | 81.65 ± 0.03° |
| γ | 75.2 ± 0.03° |
| Cell volume | 1290.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1769 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056736.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7056736.cif |
| 202945 | 2017-11-08 | cif/ Adding structures of 7056734, 7056735, 7056736 via cif-deposit CGI script. |
7056736.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.