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Information card for entry 7247144
Preview
| Coordinates | 7247144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 B N3 O2 |
|---|---|
| Calculated formula | C19 H14 B N3 O2 |
| SMILES | OB(O)c1ccc(cc1)C#N.n1cccc2c3ncccc3ccc12 |
| Title of publication | Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands |
| Authors of publication | Easmin, Samina; Pedireddi, Venkateswara Rao |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 33 |
| Pages of publication | 23267 - 23284 |
| a | 7.1497 ± 0.0003 Å |
| b | 8.7492 ± 0.0004 Å |
| c | 13.6709 ± 0.0006 Å |
| α | 97.158 ± 0.004° |
| β | 96.96 ± 0.003° |
| γ | 95.413 ± 0.004° |
| Cell volume | 837.04 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285435 (current) | 2023-08-03 | cif/ Adding structures of 7247143, 7247144, 7247145, 7247146, 7247147, 7247148, 7247149, 7247150, 7247151, 7247152, 7247153 via cif-deposit CGI script. |
7247144.cif |
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Users of the data should acknowledge the original authors of the
structural data.