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Information card for entry 7239243
Preview
| Coordinates | 7239243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H54 N4 |
|---|---|
| Calculated formula | C66 H54 N4 |
| Title of publication | Photocrystallisation of the 2C–2′C dimer of a triphenylimidazolyl radical |
| Authors of publication | Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 5351 |
| a | 10.017 ± 0.003 Å |
| b | 11.112 ± 0.003 Å |
| c | 11.721 ± 0.003 Å |
| α | 69.889 ± 0.003° |
| β | 87.557 ± 0.003° |
| γ | 83.195 ± 0.003° |
| Cell volume | 1216.5 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239243.cif |
| 244615 | 2019-11-28 | cif/ Adding structures of 7239241, 7239242, 7239243 via cif-deposit CGI script. |
7239243.cif |
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Users of the data should acknowledge the original authors of the
structural data.