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Information card for entry 1534108
Preview
| Coordinates | 1534108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 141208b |
|---|---|
| Formula | C24 H21 N O4 S |
| Calculated formula | C24 H21 N O4 S |
| SMILES | S(=O)(=O)(N(c1oc2c(c(=O)c1C)cccc2)Cc1ccccc1)c1ccc(cc1)C |
| Title of publication | Synthesis of 3-Substituted 2-Aminochromones via Sn(IV)-Promoted Annulation of Ynamides with 2-Methoxyaroyl Chlorides. |
| Authors of publication | Liu, Hongxu; Yang, Yanyan; Wang, Shen; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4472 - 4475 |
| a | 8.2556 ± 0.0017 Å |
| b | 14.406 ± 0.003 Å |
| c | 17.938 ± 0.004 Å |
| α | 90° |
| β | 93.63 ± 0.03° |
| γ | 90° |
| Cell volume | 2129.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1084 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.2494 |
| Weighted residual factors for all reflections included in the refinement | 0.2603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.5 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534108.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1534108.cif |
| 160460 | 2015-10-06 | cif/ Adding structures of 1534108 via cif-deposit CGI script. |
1534108.cif |
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Users of the data should acknowledge the original authors of the
structural data.