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Information card for entry 7235239
Preview
| Coordinates | 7235239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H33 N3 O3 |
|---|---|
| Calculated formula | C30 H33 N3 O3 |
| Title of publication | Allylation of isatin-derived N-Boc-hydrazones followed by Pd-catalyzed carboamination reaction: an entry to 3-spiro-pyrazolidyl-oxindoles |
| Authors of publication | Gazzotti, Stefano; Manenti, Marco; Lo Presti, Leonardo; Silvani, Alessandra |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 65 |
| Pages of publication | 37788 |
| a | 10.6314 ± 0.0002 Å |
| b | 24.1537 ± 0.0004 Å |
| c | 10.5798 ± 0.0002 Å |
| α | 90° |
| β | 103.663 ± 0.001° |
| γ | 90° |
| Cell volume | 2639.88 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1819 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235239.cif |
| 231116 | 2019-11-21 | cif/ Adding structures of 7235239 via cif-deposit CGI script. |
7235239.cif |
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Users of the data should acknowledge the original authors of the
structural data.