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Information card for entry 7123829
Preview
| Coordinates | 7123829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H42 F16 N10 O2 |
|---|---|
| Calculated formula | C68 H42 F16 N10 O2 |
| Title of publication | Solvation-Dependent Switching of Solid-state Luminescence of a Fluorinated Aromatic Tetrapyrazole |
| Authors of publication | Zhang, Zhenglin; Lieu, Thien; Wu, Chia-Hua; Wang, Xiqu; Wu, Judy I-Chia; Daugulis, Olafs; Miljanic, Ognjen Š. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 27.5164 ± 0.001 Å |
| b | 29.4938 ± 0.001 Å |
| c | 10.7214 ± 0.0004 Å |
| α | 90° |
| β | 99.147 ± 0.002° |
| γ | 90° |
| Cell volume | 8590.4 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1631 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123829.cif |
| 216939 | 2019-07-11 | cif/ Adding structures of 7123829, 7123830 via cif-deposit CGI script. |
7123829.cif |
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Users of the data should acknowledge the original authors of the
structural data.