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Information card for entry 8106944
Preview
| Coordinates | 8106944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 N4 O2 |
|---|---|
| Calculated formula | C14 H18 N4 O2 |
| Title of publication | Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2 |
| Authors of publication | Radi, Smaail; El-Massaoudi, Mohamed; Mabkhot, Yahia N.; Barakat, Assem; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 577 - 578 |
| a | 4.426 ± 0.0009 Å |
| b | 14.502 ± 0.004 Å |
| c | 11.455 ± 0.003 Å |
| α | 90° |
| β | 96.319 ± 0.005° |
| γ | 90° |
| Cell volume | 730.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1807 |
| Weighted residual factors for all reflections included in the refinement | 0.1946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281995 (current) | 2023-03-23 | cif/ Adding structures of 8106944 via cif-deposit CGI script. |
8106944.cif |
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Users of the data should acknowledge the original authors of the
structural data.