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Information card for entry 7235346
Preview
| Coordinates | 7235346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 N4 O2 |
|---|---|
| Calculated formula | C16 H16 N4 O2 |
| Title of publication | Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine |
| Authors of publication | Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 36 |
| Pages of publication | 18595 |
| a | 9.1945 ± 0.0006 Å |
| b | 8.2633 ± 0.0005 Å |
| c | 9.9539 ± 0.0006 Å |
| α | 90° |
| β | 107.528 ± 0.002° |
| γ | 90° |
| Cell volume | 721.15 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7235346.cif |
| 232710 | 2019-11-23 | cif/ Adding structures of 7235346, 7235347 via cif-deposit CGI script. |
7235346.cif |
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Users of the data should acknowledge the original authors of the
structural data.