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Information card for entry 1555399
Preview
| Coordinates | 1555399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | MW5128 |
|---|---|
| Chemical name | sarpong118 |
| Formula | C18 H22 O3 |
| Calculated formula | C18 H22 O3 |
| SMILES | [C@@]12([C@@]3(CC(=O)c4ccccc4C[C@H](CC1)[C@]3(C)CO2)O)C |
| Title of publication | Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction. |
| Authors of publication | Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5432 - 5435 |
| a | 7.5988 ± 0.0004 Å |
| b | 8.4424 ± 0.0004 Å |
| c | 21.953 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1408.33 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555399.cif |
| 238610 | 2019-11-24 | cif/ Adding structures of 1555399 via cif-deposit CGI script. |
1555399.cif |
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Users of the data should acknowledge the original authors of the
structural data.