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Information card for entry 1555401
Preview
| Coordinates | 1555401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | MW5-085 |
|---|---|
| Chemical name | sarpong114 |
| Formula | C19 H23 N O2 |
| Calculated formula | C19 H23 N O2 |
| SMILES | [C@@H]1(C(=O)[C@]([C@@H]2Cc3c(c4c(cccc4)n3C)[C@H]1C2)(C)CO)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 | 7.5354 ± 0.0006 Å |
| b | 8.5029 ± 0.0008 Å |
| c | 11.9989 ± 0.0011 Å |
| α | 90° |
| β | 90.259 ± 0.006° |
| γ | 90° |
| Cell volume | 768.79 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1555401.cif |
| 238614 | 2019-11-24 | cif/ Adding structures of 1555401 via cif-deposit CGI script. |
1555401.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.