Information card for entry 2231421
Chemical name |
2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine |
Formula |
C17 H21 N5 O3 |
Calculated formula |
C17 H21 N5 O3 |
SMILES |
O1CCN(CC1)c1nc(nc(n1)N1CCOCC1)Oc1ccccc1 |
Title of publication |
2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine |
Authors of publication |
Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
o2451 |
a |
8.6788 ± 0.0005 Å |
b |
11.2461 ± 0.0005 Å |
c |
17.9778 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1754.68 ± 0.16 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0542 |
Residual factor for significantly intense reflections |
0.041 |
Weighted residual factors for significantly intense reflections |
0.1054 |
Weighted residual factors for all reflections included in the refinement |
0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2231421.html