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Information card for entry 7063178
Preview
| Coordinates | 7063178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 N2 O3 |
|---|---|
| Calculated formula | C20 H20 N2 O3 |
| Title of publication | Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols |
| Authors of publication | Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| a | 7.7915 ± 0.0001 Å |
| b | 12.8038 ± 0.0001 Å |
| c | 17.2663 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1722.5 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291327 (current) | 2024-04-23 | cif/ Adding structures of 7063178, 7063179 via cif-deposit CGI script. |
7063178.cif |
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Users of the data should acknowledge the original authors of the
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