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Information card for entry 7062121
Preview
| Coordinates | 7062121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 N2 S |
|---|---|
| Calculated formula | C22 H14 N2 S |
| SMILES | S1c2cccc3nc4n(C)c5ccccc5c4c(c23)c2ccccc12 |
| Title of publication | From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds |
| Authors of publication | Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 258 - 283 |
| a | 13.8094 ± 0.001 Å |
| b | 12.1986 ± 0.0009 Å |
| c | 19.1371 ± 0.0015 Å |
| α | 90° |
| β | 99.043 ± 0.003° |
| γ | 90° |
| Cell volume | 3183.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281492 (current) | 2023-03-04 | cif/ Updating files of 7062120, 7062121, 7062122, 7062123, 7062124, 7062125, 7062126 Original log message: Adding full bibliography for 7062120--7062126.cif. |
7062121.cif |
| 279714 | 2022-12-06 | cif/ Adding structures of 7062120, 7062121, 7062122, 7062123, 7062124, 7062125, 7062126 via cif-deposit CGI script. |
7062121.cif |
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Users of the data should acknowledge the original authors of the
structural data.