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Information card for entry 7118352
Preview
| Coordinates | 7118352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H21 F6 N2 O4 P |
|---|---|
| Calculated formula | C23 H21 F6 N2 O4 P |
| Title of publication | A dual-stimuli responsive small molecule organic material with tunable multi-state response showing turn-on luminescence and photocoloration. |
| Authors of publication | Zhang, Ya-Jun; Chen, Cheng; Tan, Bin; Cai, Li-Xuan; Yang, Xiao-Dong; Zhang, Jie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 13 |
| Pages of publication | 2835 - 2838 |
| a | 6.821 ± 0.0006 Å |
| b | 17.801 ± 0.002 Å |
| c | 19.7701 ± 0.0018 Å |
| α | 90° |
| β | 98.215 ± 0.008° |
| γ | 90° |
| Cell volume | 2375.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.1623 |
| Weighted residual factors for all reflections included in the refinement | 0.1893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118352.cif |
| 177629 | 2016-03-05 | cif/ Updating files of 7118350, 7118351, 7118352 Original log message: Adding full bibliography for 7118350--7118352.cif. |
7118352.cif |
| 173619 | 2016-01-07 | cif/ Adding structures of 7118350, 7118351, 7118352 via cif-deposit CGI script. |
7118352.cif |
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Users of the data should acknowledge the original authors of the
structural data.