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Information card for entry 7156817
Preview
| Coordinates | 7156817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H21 F N2 O |
|---|---|
| Calculated formula | C22 H21 F N2 O |
| Title of publication | Synthesis of pyrazolylvinyl ketones from furan derivatives. |
| Authors of publication | Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4850 - 4855 |
| a | 7.4796 ± 0.0007 Å |
| b | 8.7825 ± 0.0008 Å |
| c | 14.3379 ± 0.0014 Å |
| α | 79.991 ± 0.008° |
| β | 78.903 ± 0.008° |
| γ | 89.752 ± 0.007° |
| Cell volume | 909.76 ± 0.15 Å3 |
| Cell temperature | 152 ± 1 K |
| Ambient diffraction temperature | 152 ± 1 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156817.cif |
| 225158 | 2019-11-08 | cif/ Updating files of 7156817 Original log message: Adding full bibliography for 7156817.cif. |
7156817.cif |
| 214877 | 2019-05-01 | cif/ Adding structures of 7156817 via cif-deposit CGI script. |
7156817.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.