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Information card for entry 7155831
Preview
| Coordinates | 7155831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H58 O3 Si2 |
|---|---|
| Calculated formula | C31 H58 O3 Si2 |
| Title of publication | Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction |
| Authors of publication | Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 8.2887 ± 0.0011 Å |
| b | 17.918 ± 0.004 Å |
| c | 12.294 ± 0.002 Å |
| α | 90° |
| β | 104.347 ± 0.004° |
| γ | 90° |
| Cell volume | 1768.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.2401 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155831.cif |
| 199835 | 2017-08-18 | cif/ Adding structures of 7155830, 7155831 via cif-deposit CGI script. |
7155831.cif |
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Users of the data should acknowledge the original authors of the
structural data.