Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160646
Preview
| Coordinates | 7160646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 Br2 N2 O3 |
|---|---|
| Calculated formula | C29 H30 Br2 N2 O3 |
| 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 | 9.343 ± 0.002 Å |
| b | 13.457 ± 0.003 Å |
| c | 22.54 ± 0.005 Å |
| α | 84.172 ± 0.01° |
| β | 79.375 ± 0.008° |
| γ | 89.555 ± 0.009° |
| Cell volume | 2770.8 ± 1.1 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.1101 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0432 |
| 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. |
7160646.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.