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Information card for entry 7160645
Preview
| Coordinates | 7160645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 Cl2 N2 O3 |
|---|---|
| Calculated formula | C29 H30 Cl2 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 | 9.2353 ± 0.0007 Å |
| b | 13.3183 ± 0.001 Å |
| c | 22.429 ± 0.0016 Å |
| α | 90° |
| β | 100.025 ± 0.002° |
| γ | 90° |
| Cell volume | 2716.6 ± 0.3 Å3 |
| Cell temperature | 299 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.1356 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1443 |
| 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. |
7160645.cif |
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