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Information card for entry 7155977
Preview
| Coordinates | 7155977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 O4 |
|---|---|
| Calculated formula | C14 H16 O4 |
| SMILES | Oc1c2c(cc(OC)c1OC)c(OC)cc(c2)C |
| Title of publication | Efficient Cross-Coupling of Aryl/Alkenyl Triflates with Acyclic Secondary Alkylboronic Acids |
| Authors of publication | Si, Tengda; Li, Bowen; Xiong, Wenrui; Xu, Bin; Tang, Wenjun |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 13.9254 ± 0.0013 Å |
| b | 17.3264 ± 0.0016 Å |
| c | 11.0023 ± 0.001 Å |
| α | 90° |
| β | 100.865 ± 0.002° |
| γ | 90° |
| Cell volume | 2607 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0728 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203144 (current) | 2017-11-14 | cif/ Adding structures of 7155977 via cif-deposit CGI script. |
7155977.cif |
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Users of the data should acknowledge the original authors of the
structural data.