Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160648
Preview
| Coordinates | 7160648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 N O2 |
|---|---|
| Calculated formula | C22 H27 N O2 |
| Title of publication | Regioselective (3+2) Cycloaddition Reactions of Zerumbone: Synthesis of Isoxazolines and Spiro-Pyrrolizidino-Oxindoles, Conformational Diversity and Theoretical Insights |
| Authors of publication | Pushparathinam, Gopinath; Nandha Kumar, Murthi; Nulakani, Naga Venkateswara Rao; Akbar Ali, Mohamad; kundu, tanay |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.6648 ± 0.0003 Å |
| b | 21.5471 ± 0.0007 Å |
| c | 10.7458 ± 0.0003 Å |
| α | 90° |
| β | 109.576 ± 0.001° |
| γ | 90° |
| Cell volume | 1890.29 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0835 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301338 (current) | 2025-07-23 | cif/ Adding structures of 7160645, 7160646, 7160647, 7160648 via cif-deposit CGI script. |
7160648.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.