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Information card for entry 1555469
Preview
| Coordinates | 1555469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 O3 |
|---|---|
| Calculated formula | C22 H14 O3 |
| SMILES | O=c1c2ccccc2c(c(O)c2ccccc12)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 | 12.5409 ± 0.0014 Å |
| b | 7.8473 ± 0.0008 Å |
| c | 31.588 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3108.6 ± 0.6 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238739 (current) | 2019-11-24 | cif/ Adding structures of 1555469 via cif-deposit CGI script. |
1555469.cif |
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Users of the data should acknowledge the original authors of the
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