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Information card for entry 8106950
Preview
| Coordinates | 8106950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 N7 O |
|---|---|
| Calculated formula | C25 H23 N7 O |
| Title of publication | Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O |
| Authors of publication | Amr, Abd El-Galil E.; Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Ali, Korany K. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 597 - 599 |
| a | 12.2755 ± 0.0004 Å |
| b | 6.2753 ± 0.0002 Å |
| c | 30.379 ± 0.0008 Å |
| α | 90° |
| β | 112.475 ± 0.002° |
| γ | 90° |
| Cell volume | 2162.42 ± 0.12 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282001 (current) | 2023-03-23 | cif/ Adding structures of 8106950 via cif-deposit CGI script. |
8106950.cif |
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Users of the data should acknowledge the original authors of the
structural data.