Information card for entry 2212391
| Chemical name |
Dimethyl 6,6'-bis(benzyloxy)-5,5'-dimethoxy)-3,3'-(6-methoxy-1,3,5-triazine-2,4- diyldioxy)dibenzoate |
| Formula |
C36 H33 N3 O11 |
| Calculated formula |
C36 H33 N3 O11 |
| SMILES |
O(c1c(Oc2nc(Oc3cc(cc(OC)c3OCc3ccccc3)C(=O)OC)nc(n2)OC)cc(cc1OC)C(=O)OC)Cc1ccccc1 |
| Title of publication |
A triazine derivative with a triple-decker sandwich conformation |
| Authors of publication |
Peter, Xolani K.; Heerden, Fanie R. van; Munro, Orde Q. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
2 |
| Pages of publication |
o624 - o626 |
| a |
8.554 ± 0.0007 Å |
| b |
11.1363 ± 0.0008 Å |
| c |
17.9894 ± 0.0013 Å |
| α |
92.746 ± 0.006° |
| β |
94.278 ± 0.006° |
| γ |
96.246 ± 0.006° |
| Cell volume |
1696 ± 0.2 Å3 |
| Cell temperature |
295 ± 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 significantly intense reflections |
0.066 |
| Weighted residual factors for all reflections included in the refinement |
0.2243 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2212391.html
