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Information card for entry 1551010
Preview
| Coordinates | 1551010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 F O2 |
|---|---|
| Calculated formula | C16 H19 F O2 |
| SMILES | Fc1cccc(c1C(=O)O)C(=C=C(C)C)CCCC |
| Title of publication | Ruthenium(II)-Catalyzed C-H Allenylation-Based Approach to Allenoic Acids |
| Authors of publication | Wu, Xiaoyan; Fan, Junjie; Fu, Chunling; Ma, Shengming |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.7724 ± 0.0013 Å |
| b | 15.7829 ± 0.0012 Å |
| c | 9.9065 ± 0.0012 Å |
| α | 90° |
| β | 116.778 ± 0.015° |
| γ | 90° |
| Cell volume | 1503.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0962 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215034 (current) | 2019-05-11 | cif/ Adding structures of 1551010 via cif-deposit CGI script. |
1551010.cif |
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Users of the data should acknowledge the original authors of the
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