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