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Information card for entry 8107096
Preview
| Coordinates | 8107096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 F N2 O3 |
|---|---|
| Calculated formula | C13 H11 F N2 O3 |
| Title of publication | Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3 |
| Authors of publication | Barakat, Assem; Ghabbour, Hazem A.; Al-Qahtani, Bandar M.; Ali, M.; Mohammed Al-Majid, Abdullah |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1059 - 1061 |
| a | 5.7471 ± 0.0004 Å |
| b | 7.8734 ± 0.0006 Å |
| c | 13.3112 ± 0.0011 Å |
| α | 75.546 ± 0.003° |
| β | 78.183 ± 0.003° |
| γ | 77.54 ± 0.003° |
| Cell volume | 562.22 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282764 (current) | 2023-04-20 | cif/ Adding structures of 8107096 via cif-deposit CGI script. |
8107096.cif |
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Users of the data should acknowledge the original authors of the
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