Information card for entry 7203311
| Common name |
2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane |
| Chemical name |
2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane |
| Formula |
C18.55 H10.65 Cl3 N6.55 O4.1 |
| Calculated formula |
C18 H9 Cl3 N6 O3 |
| SMILES |
Clc1ncccc1Oc1nc(Oc2cccnc2Cl)nc(Oc2cccnc2Cl)n1 |
| Title of publication |
Self-assembled organic tubular host for van der Waals guest inclusion |
| Authors of publication |
Saha, Binoy K.; Nangia, Ashwini |
| Journal of publication |
CrystEngComm |
| Year of publication |
2006 |
| Journal volume |
8 |
| Journal issue |
6 |
| Pages of publication |
440 |
| a |
6.3045 ± 0.0007 Å |
| b |
10.1891 ± 0.0011 Å |
| c |
17.0142 ± 0.0019 Å |
| α |
93.247 ± 0.002° |
| β |
92.607 ± 0.002° |
| γ |
90.35 ± 0.002° |
| Cell volume |
1090 ± 0.2 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1356 |
| Residual factor for significantly intense reflections |
0.0586 |
| Weighted residual factors for significantly intense reflections |
0.1061 |
| Weighted residual factors for all reflections included in the refinement |
0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.882 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7203311.html
