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Information card for entry 1554946
Preview
| Coordinates | 1554946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N2 O |
|---|---|
| Calculated formula | C14 H12 N2 O |
| SMILES | o1c2c3ccccc3nc(c2nc1C)C1CC1 |
| Title of publication | Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines |
| Authors of publication | Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2404 |
| a | 7.2536 ± 0.0006 Å |
| b | 9.2341 ± 0.0009 Å |
| c | 9.3515 ± 0.001 Å |
| α | 85.065 ± 0.008° |
| β | 81.059 ± 0.008° |
| γ | 68.355 ± 0.008° |
| Cell volume | 574.85 ± 0.1 Å3 |
| Cell temperature | 295.25 ± 0.1 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238231 (current) | 2019-11-24 | cif/ Adding structures of 1554946, 1554947 via cif-deposit CGI script. |
1554946.cif |
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Users of the data should acknowledge the original authors of the
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