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Information card for entry 1555307
Preview
| Coordinates | 1555307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O5 |
|---|---|
| Calculated formula | C16 H22 O5 |
| SMILES | O(c1c(OC)cc(cc1OC)/C=C/C(C)(C)C(=O)OC)C |
| Title of publication | Decarboxylative Alkylcarboxylation of α,β-Unsaturated Acids Enabled by Copper-Catalyzed Oxidative Coupling. |
| Authors of publication | Gao, Bao; Xie, Yinjun; Shen, Zhiqiang; Yang, Lei; Huang, Hanmin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 4968 - 4971 |
| a | 13.19 ± 0.0011 Å |
| b | 10.5762 ± 0.0009 Å |
| c | 12.1985 ± 0.001 Å |
| α | 90° |
| β | 109.1 ± 0.001° |
| γ | 90° |
| Cell volume | 1608 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238455 (current) | 2019-11-24 | cif/ Adding structures of 1555307 via cif-deposit CGI script. |
1555307.cif |
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