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Information card for entry 1547062
Preview
| Coordinates | 1547062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Br O4 |
|---|---|
| Calculated formula | C16 H15 Br O4 |
| SMILES | Brc1cccc2[C@@]3(CC(=O)[C@@H](C3=O)CCc12)C(=O)OCC.Brc1cccc2[C@]3(CC(=O)[C@H](C3=O)CCc12)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 | 15.6419 ± 0.0012 Å |
| b | 23.9707 ± 0.0018 Å |
| c | 7.8208 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2932.4 ± 0.4 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200572 (current) | 2017-09-12 | cif/ Adding structures of 1547062 via cif-deposit CGI script. |
1547062.cif |
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Users of the data should acknowledge the original authors of the
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