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Information card for entry 7247528
Preview
| Coordinates | 7247528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N4 |
|---|---|
| Calculated formula | C20 H18 N4 |
| SMILES | n1(ccnc1)Cc1ccc(c2ccc(cc2)Cn2cncc2)cc1 |
| Title of publication | Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core |
| Authors of publication | Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 44 |
| Pages of publication | 30625 - 30632 |
| a | 18.288 ± 0.0005 Å |
| b | 7.913 ± 0.0002 Å |
| c | 22.3941 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3240.72 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287035 (current) | 2023-10-19 | cif/ Adding structures of 7247525, 7247526, 7247527, 7247528 via cif-deposit CGI script. |
7247528.cif |
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Users of the data should acknowledge the original authors of the
structural data.