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Information card for entry 1540616
Preview
| Coordinates | 1540616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FWHA041b |
|---|---|
| Formula | C15 H16 O5 |
| Calculated formula | C15 H16 O5 |
| SMILES | c1c(c(O)cc2cc(OC)c(OC)cc12)C(=O)OCC |
| Title of publication | Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. |
| Authors of publication | Wagner, Frederic; Harms, Klaus; Koert, Ulrich |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5670 - 5673 |
| a | 7.9292 ± 0.0004 Å |
| b | 8.4053 ± 0.0004 Å |
| c | 10.7094 ± 0.0005 Å |
| α | 93.039 ± 0.002° |
| β | 104.73 ± 0.002° |
| γ | 106.745 ± 0.002° |
| Cell volume | 654.85 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170764 (current) | 2015-12-06 | cif/ Adding structures of 1540614, 1540615, 1540616 via cif-deposit CGI script. |
1540616.cif |
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Users of the data should acknowledge the original authors of the
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