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Information card for entry 4037683
Preview
| Coordinates | 4037683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H13 N3 O |
|---|---|
| Calculated formula | C20 H13 N3 O |
| SMILES | n1c(c2c(c3ccccc13)cc[nH]2)C(=O)c1c[nH]c2c1cccc2 |
| Title of publication | Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway. |
| Authors of publication | Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 3.836 ± 0.0001 Å |
| b | 11.6306 ± 0.0004 Å |
| c | 32.4071 ± 0.0011 Å |
| α | 90° |
| β | 91.612 ± 0.003° |
| γ | 90° |
| Cell volume | 1445.27 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections | 0.1353 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0021 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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