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Information card for entry 4131759
Preview
| Coordinates | 4131759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N3 O4 |
|---|---|
| Calculated formula | C16 H15 N3 O4 |
| Title of publication | Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene. |
| Authors of publication | Hernandez, Lucas W.; Pospech, Jola; Klöckner, Ulrich; Bingham, Tanner W.; Sarlah, David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 44 |
| Pages of publication | 15656 - 15659 |
| a | 7.2463 ± 0.0005 Å |
| b | 9.548 ± 0.0007 Å |
| c | 11.2269 ± 0.0008 Å |
| α | 72.6 ± 0.0018° |
| β | 72.9177 ± 0.0019° |
| γ | 86.0255 ± 0.0018° |
| Cell volume | 708.37 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241927 (current) | 2019-11-25 | cif/ Adding structures of 4131759 via cif-deposit CGI script. |
4131759.cif |
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Users of the data should acknowledge the original authors of the
structural data.