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Information card for entry 8107388
Preview
| Coordinates | 8107388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 N2 O2 |
|---|---|
| Calculated formula | C10 H14 N2 O2 |
| Title of publication | Crystal structure of 1,1′-(pyrazine-1,4-diyl)-bis(propan-2-one), C10H14N2O2 |
| Authors of publication | Zhong, Qi-Di; Wang, Rui; Zhao, Kai-Hui; Fu, Yu-Wei; Li, Dong-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 181 - 182 |
| a | 4.1183 ± 0.0015 Å |
| b | 9.787 ± 0.004 Å |
| c | 12.649 ± 0.005 Å |
| α | 90° |
| β | 100.411 ± 0.012° |
| γ | 90° |
| Cell volume | 501.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284494 (current) | 2023-06-16 | cif/ Adding structures of 8107388 via cif-deposit CGI script. |
8107388.cif |
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Users of the data should acknowledge the original authors of the
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