Information card for entry 8105501
| Formula |
C13 H16 N2 O4 |
| Calculated formula |
C13 H16 N2 O4 |
| Title of publication |
Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4 |
| Authors of publication |
Caracelli, Ignez; Zukerman-Schpector, Julio; Rodrigues, Alessandro; Vinhato, Elisângela; Olivato, Paulo R.; Tiekink, Edward R.T. |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2020 |
| Journal volume |
235 |
| Journal issue |
6 |
| Pages of publication |
1485 - 1487 |
| a |
6.7876 ± 0.0002 Å |
| b |
8.8984 ± 0.0002 Å |
| c |
22.3399 ± 0.0006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1349.3 ± 0.06 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0447 |
| Residual factor for significantly intense reflections |
0.0384 |
| Weighted residual factors for significantly intense reflections |
0.0898 |
| Weighted residual factors for all reflections included in the refinement |
0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.084 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8105501.html
