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Information card for entry 7247526
Preview
| Coordinates | 7247526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N4 |
|---|---|
| Calculated formula | C20 H18 N4 |
| SMILES | n1(cncc1)Cc1ccc(cc1)c1ccc(cc1)Cn1cncc1 |
| 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 | 5.6618 ± 0.0001 Å |
| b | 14.6008 ± 0.0002 Å |
| c | 19.1251 ± 0.0003 Å |
| α | 90° |
| β | 90.651 ± 0.001° |
| γ | 90° |
| Cell volume | 1580.91 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
7247526.cif |
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Users of the data should acknowledge the original authors of the
structural data.