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Information card for entry 4128303
Preview
| Coordinates | 4128303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H27 N2 O8.5 |
|---|---|
| Calculated formula | C22 H27 N2 O8.5 |
| Title of publication | Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation. |
| Authors of publication | Thesmar, Pierre; Baudoin, Olivier |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 15779 - 15783 |
| a | 9.883 ± 0.0004 Å |
| b | 9.883 ± 0.0004 Å |
| c | 36.809 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3113.6 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections | 0.0854 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9809 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4128303.cif |
| 221426 | 2019-11-03 | cif/ Adding structures of 4128303 via cif-deposit CGI script. |
4128303.cif |
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Users of the data should acknowledge the original authors of the
structural data.