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Information card for entry 4125745
Preview
| Coordinates | 4125745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 O5 Si |
|---|---|
| Calculated formula | C22 H30 O5 Si |
| Title of publication | Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin. |
| Authors of publication | Schuppe, Alexander W.; Newhouse, Timothy R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 2 |
| Pages of publication | 631 - 634 |
| a | 9.9985 ± 0.0007 Å |
| b | 8.5859 ± 0.0006 Å |
| c | 25.1456 ± 0.0018 Å |
| α | 90° |
| β | 93.281 ± 0.002° |
| γ | 90° |
| Cell volume | 2155.1 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125745.cif |
| 193121 | 2017-03-04 | cif/ Adding structures of 4125745 via cif-deposit CGI script. |
4125745.cif |
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Users of the data should acknowledge the original authors of the
structural data.