Information card for entry 2212862
Chemical name |
2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione |
Formula |
C10 H13 N O4 |
Calculated formula |
C10 H13 N O4 |
SMILES |
C1(=C2NCCC2)C(=O)OC(OC1=O)(C)C |
Title of publication |
2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione |
Authors of publication |
Sabino, Jose R.; Damasceno, Fabiano; Cunha, Silvio |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
o1913 - o1915 |
a |
5.5947 ± 0.0003 Å |
b |
9.1093 ± 0.0005 Å |
c |
10.3306 ± 0.0005 Å |
α |
90.988 ± 0.003° |
β |
92.799 ± 0.003° |
γ |
104.114 ± 0.003° |
Cell volume |
509.75 ± 0.05 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 significantly intense reflections |
0.056 |
Weighted residual factors for all reflections included in the refinement |
0.185 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
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/2212862.html