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Information card for entry 8105797
Preview
| Coordinates | 8105797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 Cl F N2 |
|---|---|
| Calculated formula | C21 H16 Cl F N2 |
| Title of publication | Crystal structure of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole, C21H16ClFN2 |
| Authors of publication | Shen, Zhenpeng; Liu, E.; Tian, Xinzhe; Jian, Fangfang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 613 - 615 |
| a | 20.286 ± 0.004 Å |
| b | 5.3827 ± 0.0011 Å |
| c | 16.254 ± 0.003 Å |
| α | 90° |
| β | 104.95 ± 0.03° |
| γ | 90° |
| Cell volume | 1714.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277998 (current) | 2022-09-20 | cif/ Adding structures of 8105797 via cif-deposit CGI script. |
8105797.cif |
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Users of the data should acknowledge the original authors of the
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