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Information card for entry 1555465
Preview
| Coordinates | 1555465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 O4 |
|---|---|
| Calculated formula | C21 H14 O4 |
| SMILES | O=c1ccc(c(OC(=O)c2ccccc2)cc1)C(=O)c1ccccc1 |
| 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 | 9.2786 ± 0.0015 Å |
| b | 23.641 ± 0.004 Å |
| c | 7.5289 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1651.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| 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 |
|---|---|---|---|
| 238731 (current) | 2019-11-24 | cif/ Adding structures of 1555465 via cif-deposit CGI script. |
1555465.cif |
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