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Information card for entry 7249933
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| Coordinates | 7249933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 O2 |
|---|---|
| Calculated formula | C40 H32 O2 |
| Title of publication | Using an aromatic linker to optimize charge-resonance states, photodimerization and reversibility in covalent anthracene dimers |
| Authors of publication | Lam, Kevin; Dillon, Robert J.; Carreras, Abel; Nishiuchi, Tomohiko; Kubo, Takashi; Al-Kaysi, Rabih O; Casanova, David; Bardeen, Christopher J. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2024 |
| a | 9.1458 ± 0.001 Å |
| b | 11.4764 ± 0.0014 Å |
| c | 26.799 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2812.8 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297676 (current) | 2025-02-11 | cif/ Adding structures of 7249933 via cif-deposit CGI script. |
7249933.cif |
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Users of the data should acknowledge the original authors of the
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