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Information card for entry 4038953
Preview
| Coordinates | 4038953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ?14:50 23.03.2015 |
|---|---|
| Formula | C22 H18 N2 O2 S |
| Calculated formula | C22 H18 N2 O2 S |
| Title of publication | Synthesis of 3H-Pyrazoles by Reaction of Methyl and p-Tolyl Phenylethynyl Sulfones with Diphenyldiazomethane and Their Thermal and Acid-Catalyzed Transformations |
| Authors of publication | Vasin, V.A.; Masterova, Yu.Yu.; Bezrukova, E.V.; Razin, V.V.; Somov, N.V. |
| Journal of publication | Russian Journal of Organic Chemistry |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 6 |
| Pages of publication | 874 - 883 |
| a | 9.8194 ± 0.0004 Å |
| b | 20.4689 ± 0.0007 Å |
| c | 9.6034 ± 0.0003 Å |
| α | 90° |
| β | 96.044 ± 0.003° |
| γ | 90° |
| Cell volume | 1919.48 ± 0.12 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269560 (current) | 2021-10-05 | cif/ Adding structures of 4038953 via cif-deposit CGI script. |
4038953.cif |
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