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Information card for entry 4135213
Preview
| Coordinates | 4135213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H49 N O3 S Si |
|---|---|
| Calculated formula | C25 H49 N O3 S Si |
| Title of publication | Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues |
| Authors of publication | Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.176 ± 0.0002 Å |
| b | 9.948 ± 0.0002 Å |
| c | 15.9081 ± 0.0003 Å |
| α | 90° |
| β | 99.787 ± 0.001° |
| γ | 90° |
| Cell volume | 1431 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0233 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4135213.cif |
| 255697 | 2020-08-28 | cif/ Adding structures of 4135213 via cif-deposit CGI script. |
4135213.cif |
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Users of the data should acknowledge the original authors of the
structural data.