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Information card for entry 1547061
Preview
| Coordinates | 1547061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O4 |
|---|---|
| Calculated formula | C16 H16 O4 |
| SMILES | O=C1[C@H]2C(=O)[C@@](C1)(CCc1ccccc21)C(=O)OCC.O=C1[C@@H]2C(=O)[C@](C1)(CCc1ccccc21)C(=O)OCC |
| Title of publication | An Approach to the Welwistatin Core via a Diazoketone Rearrangement-Ring Expansion Strategy. |
| Authors of publication | Lam, Shuk Mei; Wong, Wing-Tak; Chiu, Pauline |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 4468 - 4471 |
| a | 12.2416 ± 0.0009 Å |
| b | 15.1877 ± 0.0011 Å |
| c | 7.6373 ± 0.0006 Å |
| α | 90° |
| β | 94.46 ± 0.001° |
| γ | 90° |
| Cell volume | 1415.64 ± 0.18 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| 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 |
|---|---|---|---|
| 200570 (current) | 2017-09-12 | cif/ Adding structures of 1547061 via cif-deposit CGI script. |
1547061.cif |
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Users of the data should acknowledge the original authors of the
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