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Information card for entry 2200454
Preview
| Coordinates | 2200454.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-tert-Butyl-2,6-bis(piperidinomethyl)phenol |
|---|---|
| Formula | C22 H36 N2 O |
| Calculated formula | C22 H36 N2 O |
| SMILES | c1(c(cc(cc1CN1CCCCC1)C(C)(C)C)CN1CCCCC1)O |
| Title of publication | 4-<i>tert</i>-Butyl-2,6-bis(piperidinomethyl)phenol |
| Authors of publication | Abdul Ajees, A.; Sekar, K.; Marrappan, M.; Kandasamy, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o878 - o880 |
| a | 10.54 ± 0.002 Å |
| b | 12.153 ± 0.003 Å |
| c | 9.786 ± 0.002 Å |
| α | 106.2 ± 0.03° |
| β | 116.89 ± 0.03° |
| γ | 87.18 ± 0.04° |
| Cell volume | 1069.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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