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Information card for entry 7160609
Preview
| Coordinates | 7160609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H26 O4 |
|---|---|
| Calculated formula | C19 H26 O4 |
| Title of publication | First Stereoselective Approach for Structure Revision of Nagiol and Syntheses of 2,3-Dihydroxyferruginol and Ferruginol |
| Authors of publication | Surendran, Sravya; Ramachandran, Arathi; Goreti, Rajendar |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.8089 ± 0.0003 Å |
| b | 15.0295 ± 0.0006 Å |
| c | 35.998 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3683.8 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1496 |
| Weighted residual factors for all reflections included in the refinement | 0.1631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300201 (current) | 2025-06-26 | cif/ Adding structures of 7160609 via cif-deposit CGI script. |
7160609.cif |
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Users of the data should acknowledge the original authors of the
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