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Information card for entry 1554927
Preview
| Coordinates | 1554927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 O |
|---|---|
| Calculated formula | C16 H18 O |
| SMILES | O[C@@H]1CC2=C(Cc3c(cccc3)C=C2)C1(C)C |
| Title of publication | Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F |
| Authors of publication | Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 15 |
| Pages of publication | 2771 |
| a | 20.961 ± 0.008 Å |
| b | 20.961 ± 0.008 Å |
| c | 7.086 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2696.2 ± 1.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238215 (current) | 2019-11-24 | cif/ Adding structures of 1554927, 1554928, 1554929 via cif-deposit CGI script. |
1554927.cif |
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Users of the data should acknowledge the original authors of the
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