Information card for entry 2015720
| Chemical name |
1,3,5-benzyloxy-1,3,5-triazinane-2,4,6-trione |
| Formula |
C24 H21 N3 O6 |
| Calculated formula |
C24 H21 N3 O6 |
| SMILES |
C1(=O)N(C(=O)N(C(=O)N1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 |
| Title of publication |
Cyclic trihydroxamic acid derivatives |
| Authors of publication |
Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
1 |
| Pages of publication |
o45 - o47 |
| a |
7.765 ± 0.002 Å |
| b |
12.139 ± 0.003 Å |
| c |
12.783 ± 0.003 Å |
| α |
66.36 ± 0.02° |
| β |
76.78 ± 0.02° |
| γ |
82.79 ± 0.02° |
| Cell volume |
1073.8 ± 0.5 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 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 |
0.0722 |
| Residual factor for significantly intense reflections |
0.0545 |
| Weighted residual factors for significantly intense reflections |
0.1441 |
| Weighted residual factors for all reflections included in the refinement |
0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2015720.html
