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Information card for entry 7245744
Preview
| Coordinates | 7245744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 N4 O |
|---|---|
| Calculated formula | C24 H12 N4 O |
| Title of publication | Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor |
| Authors of publication | Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 6.7631 ± 0.0011 Å |
| b | 8.0049 ± 0.0016 Å |
| c | 9.0066 ± 0.0011 Å |
| α | 99.642 ± 0.013° |
| β | 97.616 ± 0.011° |
| γ | 100.727 ± 0.015° |
| Cell volume | 465.52 ± 0.14 Å3 |
| Cell temperature | 293.39 ± 0.1 K |
| Ambient diffraction temperature | 293.39 ± 0.1 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1622 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278885 (current) | 2022-11-01 | cif/ Adding structures of 7245743, 7245744, 7245745 via cif-deposit CGI script. |
7245744.cif |
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Users of the data should acknowledge the original authors of the
structural data.