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Information card for entry 4514122
Preview
| Coordinates | 4514122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 S |
|---|---|
| Calculated formula | C22 H16 S |
| Title of publication | Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes |
| Authors of publication | Yu, Liu-Zhu; Wei, Yin; Shi, Min |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | 4242 |
| a | 4.9712 ± 0.0009 Å |
| b | 11.992 ± 0.002 Å |
| c | 27.578 ± 0.005 Å |
| α | 79.676 ± 0.006° |
| β | 84.855 ± 0.004° |
| γ | 78.156 ± 0.004° |
| Cell volume | 1580.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1566 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.238 |
| Weighted residual factors for all reflections included in the refinement | 0.2768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200650 (current) | 2017-09-12 | cif/ Updating files of 4514120, 4514121, 4514122 Original log message: Adding full bibliography for 4514120--4514122.cif. |
4514122.cif |
| 196945 | 2017-05-25 | cif/ Adding structures of 4514122 via cif-deposit CGI script. |
4514122.cif |
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Users of the data should acknowledge the original authors of the
structural data.