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Information card for entry 8106870
Preview
| Coordinates | 8106870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H36 N4 |
|---|---|
| Calculated formula | C25 H36 N4 |
| SMILES | N1(CCN(CC1)CN1CCN(c2c(cc(cc2)C)C)CC1)c1c(cc(cc1)C)C |
| Title of publication | The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4 |
| Authors of publication | Lian, Zhi-Min; Sun, Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 339 - 341 |
| a | 10.46 ± 0.002 Å |
| b | 12.653 ± 0.003 Å |
| c | 17.566 ± 0.003 Å |
| α | 90° |
| β | 94.452 ± 0.007° |
| γ | 90° |
| Cell volume | 2317.9 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281727 (current) | 2023-03-08 | cif/ Adding structures of 8106870 via cif-deposit CGI script. |
8106870.cif |
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Users of the data should acknowledge the original authors of the
structural data.