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Information card for entry 2003210
Preview
| Coordinates | 2003210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 N3 O3 |
|---|---|
| Calculated formula | C24 H27 N3 O3 |
| SMILES | N1(CN(CN(C1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC |
| Title of publication | Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane |
| Authors of publication | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 2 |
| Pages of publication | 246 - 249 |
| a | 15.518 ± 0.002 Å |
| b | 16.427 ± 0.002 Å |
| c | 8.46 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2157 ± 2 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Goodness-of-fit parameter for significantly intense reflections | 1.88 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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