Information card for entry 2003209
| Formula |
C24 H27 N3 O3 |
| Calculated formula |
C24 H27 N3 O3 |
| SMILES |
N1(CN(CN(C1)c1c(cccc1)OC)c1c(cccc1)OC)c1c(cccc1)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 |
8.582 ± 0.002 Å |
| b |
8.996 ± 0.002 Å |
| c |
15.357 ± 0.003 Å |
| α |
94.9 ± 0.01° |
| β |
93.27 ± 0.01° |
| γ |
117.59 ± 0.01° |
| Cell volume |
1040 ± 1 Å3 |
| Cell temperature |
293 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 significantly intense reflections |
0.038 |
| Weighted residual factors for significantly intense reflections |
0.05 |
| Goodness-of-fit parameter for significantly intense reflections |
2.23 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2003209.html
