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Information card for entry 8106680
Preview
| Coordinates | 8106680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 N2 O4 |
|---|---|
| Calculated formula | C12 H18 N2 O4 |
| Title of publication | Crystal structure of 2-(8a-methyl-5-oxo-hexahydroimidazo [1,2-a]pyridin-1(5H)-yl)-2-oxoethyl acetate, C12H18N2O4 |
| Authors of publication | Ye, Fei; Li, Juan-Juan; Xu, Zhao-Zheng; Fu, Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 5 |
| Pages of publication | 791 - 793 |
| a | 7.1591 ± 0.0014 Å |
| b | 10.236 ± 0.002 Å |
| c | 16.713 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1224.7 ± 0.4 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280779 (current) | 2023-02-06 | cif/ Adding structures of 8106680 via cif-deposit CGI script. |
8106680.cif |
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Users of the data should acknowledge the original authors of the
structural data.