Information card for entry 2239070
Chemical name |
1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione |
Formula |
C24 H21 N3 O6 |
Calculated formula |
C24 H21 N3 O6 |
SMILES |
COc1ccc(cc1)N1C(=O)N(c2ccc(cc2)OC)C(=O)N(C1=O)c1ccc(cc1)OC |
Title of publication |
1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione |
Authors of publication |
Fang, Li; Li, Feifei; Luo, Xuemei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
2 |
Pages of publication |
o118 |
a |
13.2008 ± 0.0014 Å |
b |
13.2008 ± 0.0014 Å |
c |
26.695 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
4028.7 ± 0.8 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 ± 2 K |
Number of distinct elements |
4 |
Space group number |
161 |
Hermann-Mauguin space group symbol |
R 3 c :H |
Hall space group symbol |
R 3 -2"c |
Residual factor for all reflections |
0.0601 |
Residual factor for significantly intense reflections |
0.0439 |
Weighted residual factors for significantly intense reflections |
0.1145 |
Weighted residual factors for all reflections included in the refinement |
0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
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/2239070.html