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Information card for entry 4514299
Preview
| Coordinates | 4514299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 O2 S2 |
|---|---|
| Calculated formula | C18 H18 O2 S2 |
| Title of publication | Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes |
| Authors of publication | Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 144 |
| a | 18.468 ± 0.003 Å |
| b | 5.7696 ± 0.0008 Å |
| c | 29.486 ± 0.004 Å |
| α | 90° |
| β | 91.375 ± 0.002° |
| γ | 90° |
| Cell volume | 3140.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206115 (current) | 2018-02-04 | cif/ Updating files of 4514299, 4514300 Original log message: Adding full bibliography for 4514299--4514300.cif. |
4514299.cif |
| 203873 | 2017-12-02 | cif/ Adding structures of 4514299 via cif-deposit CGI script. |
4514299.cif |
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Users of the data should acknowledge the original authors of the
structural data.