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Information card for entry 1555471
Preview
| Coordinates | 1555471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O3 |
|---|---|
| Calculated formula | C17 H13 N O3 |
| SMILES | O=c1n(c2c(c(c1O)C(=O)c1ccccc1)cccc2)C |
| Title of publication | Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols. |
| Authors of publication | Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5926 - 5929 |
| a | 4.629 ± 0.002 Å |
| b | 16.421 ± 0.008 Å |
| c | 17.474 ± 0.008 Å |
| α | 90° |
| β | 91.158 ± 0.01° |
| γ | 90° |
| Cell volume | 1328 ± 1.1 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 4 |
| 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1958 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238743 (current) | 2019-11-24 | cif/ Adding structures of 1555471 via cif-deposit CGI script. |
1555471.cif |
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