Information card for entry 2210361
Chemical name |
5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
Formula |
C7 H9 N O4 |
Calculated formula |
C7 H9 N O4 |
SMILES |
C(=C1C(=O)OC(C)(C)OC1=O)N |
Title of publication |
5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
Authors of publication |
Silva, Luiz Everson da; Joussef, Antonio Carlos; Silva, Luciano Luiz; Foro, Sabine; Schmidt, Boris |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
9 |
Pages of publication |
o3866 - o3867 |
a |
9.83 ± 0.001 Å |
b |
9.609 ± 0.001 Å |
c |
16.819 ± 0.002 Å |
α |
90° |
β |
90.95 ± 0.01° |
γ |
90° |
Cell volume |
1588.4 ± 0.3 Å3 |
Cell temperature |
299 ± 2 K |
Ambient diffraction temperature |
299 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.061 |
Residual factor for significantly intense reflections |
0.0368 |
Weighted residual factors for significantly intense reflections |
0.0929 |
Weighted residual factors for all reflections included in the refinement |
0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2210361.html