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Information card for entry 1551750
Preview
| Coordinates | 1551750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N3 |
|---|---|
| Calculated formula | C20 H15 N3 |
| SMILES | n1(nc(cc1c1ccncc1)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Crystal Structure of 4-(1,3-Diphenyl-1H-pyrazol-5-yl)pyridine |
| Authors of publication | PRASAD, T. N. Mahadeva; RAGHAVA, B.; SRIDHAR, M. A.; RANGAPPA, K. S.; PRASAD, J. Shashidhara |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2010 |
| Journal volume | 26 |
| Pages of publication | 75 |
| a | 10.57 ± 0.0006 Å |
| b | 12.281 ± 0.0013 Å |
| c | 12.175 ± 0.0013 Å |
| α | 90° |
| β | 94.429 ± 0.007° |
| γ | 90° |
| Cell volume | 1575.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216362 (current) | 2019-06-20 | cif/ Adding structures of 1551750 via cif-deposit CGI script. |
1551750.cif |
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