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Information card for entry 7238494
Preview
| Coordinates | 7238494.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H23 N O6 |
|---|---|
| Calculated formula | C19 H23 N O6 |
| Title of publication | Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity |
| Authors of publication | Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 6998 |
| a | 14.95 ± 0.002 Å |
| b | 7.5242 ± 0.0015 Å |
| c | 16.563 ± 0.003 Å |
| α | 90° |
| β | 92.834 ± 0.002° |
| γ | 90° |
| Cell volume | 1860.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1836 |
| Weighted residual factors for all reflections included in the refinement | 0.2038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7238494.cif |
| 244193 | 2019-11-28 | cif/ Adding structures of 7238488, 7238489, 7238490, 7238491, 7238492, 7238493, 7238494 via cif-deposit CGI script. |
7238494.cif |
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Users of the data should acknowledge the original authors of the
structural data.