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Information card for entry 1554532
Preview
| Coordinates | 1554532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H15 N O3 |
|---|---|
| Calculated formula | C19 H15 N O3 |
| SMILES | O(C)c1cc2/C(=C3/Nc4c(cccc4C=C3)C)C(=O)Oc2cc1 |
| Title of publication | Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides |
| Authors of publication | Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 226 |
| a | 14.3845 ± 0.0014 Å |
| b | 4.3448 ± 0.0004 Å |
| c | 23.199 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1449.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554532.cif |
| 237315 | 2019-11-24 | cif/ Adding structures of 1554532, 1554533, 1554534 via cif-deposit CGI script. |
1554532.cif |
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Users of the data should acknowledge the original authors of the
structural data.