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Information card for entry 1507709
Preview
| Coordinates | 1507709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 N O3 |
|---|---|
| Calculated formula | C25 H19 N O3 |
| SMILES | c12ccccc1c(c(c(c1ccccc1)n2)C(=O)OCC)C(=O)c1ccccc1 |
| Title of publication | Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2. |
| Authors of publication | Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2480 - 2483 |
| a | 12.2143 ± 0.0019 Å |
| b | 20.809 ± 0.003 Å |
| c | 7.8088 ± 0.0012 Å |
| α | 90° |
| β | 101.253 ± 0.002° |
| γ | 90° |
| Cell volume | 1946.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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