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Information card for entry 1554451
Preview
| Coordinates | 1554451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N O2 S |
|---|---|
| Calculated formula | C26 H23 N O2 S |
| Title of publication | Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes |
| Authors of publication | Zhang, Jia-hao; Wei, Yin; Shi, Min |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 20 |
| Pages of publication | 2980 |
| a | 12.1152 ± 0.0014 Å |
| b | 14.1577 ± 0.0018 Å |
| c | 24.768 ± 0.003 Å |
| α | 90° |
| β | 93.519 ± 0.002° |
| γ | 90° |
| Cell volume | 4240.3 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237247 (current) | 2019-11-24 | cif/ Adding structures of 1554451, 1554452, 1554453 via cif-deposit CGI script. |
1554451.cif |
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Users of the data should acknowledge the original authors of the
structural data.