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Information card for entry 7159921
Preview
Coordinates | 7159921.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H15 N O4 |
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Calculated formula | C24 H15 N O4 |
SMILES | o1c2c(c(c1Nc1ccccc1)C(=O)c1ccccc1)C(=O)Oc1c2cccc1 |
Title of publication | PIDA-promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-<i>c</i>]chromen-4-ones at room temperature. |
Authors of publication | Kumar Yadav, Anup; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 21 |
Pages of publication | 4326 - 4331 |
a | 20.4669 ± 0.0003 Å |
b | 8.1277 ± 0.0001 Å |
c | 21.7889 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3624.56 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159921.html
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Users of the data should acknowledge the original authors of the
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