Information card for entry 2222184
Chemical name |
5-[(4-Acetylphenyl)aminomethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
Formula |
C15 H15 N O5 |
Calculated formula |
C15 H15 N O5 |
SMILES |
O1C(OC(=O)C(C1=O)=CNc1ccc(cc1)C(=O)C)(C)C |
Title of publication |
5-[(4-Acetylphenyl)aminomethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
Authors of publication |
Li, Rui; Ding, Zhen-Yu; Wei, Yu-Quan; Ding, Jian |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
o1297 |
a |
7.102 ± 0.003 Å |
b |
7.356 ± 0.004 Å |
c |
13.856 ± 0.004 Å |
α |
82.79 ± 0.04° |
β |
83.19 ± 0.04° |
γ |
86.03 ± 0.04° |
Cell volume |
712 ± 0.5 Å3 |
Cell temperature |
292 ± 2 K |
Ambient diffraction temperature |
292 ± 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 |
0.1264 |
Residual factor for significantly intense reflections |
0.0637 |
Weighted residual factors for significantly intense reflections |
0.1581 |
Weighted residual factors for all reflections included in the refinement |
0.1792 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2222184.html