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Information card for entry 7218264
Preview
| Coordinates | 7218264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H25 N O2 S |
|---|---|
| Calculated formula | C22 H25 N O2 S |
| SMILES | S1C2=C(C(C3=C(N2CC1)CC(CC3=O)(C)C)c1ccc(cc1)C)C(=O)C |
| Title of publication | Catalyst-free one-pot four-component domino reactions in water–PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds |
| Authors of publication | Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar |
| Journal of publication | Green Chem. |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 2 |
| Pages of publication | 950 |
| a | 6.4263 ± 0.0003 Å |
| b | 12.9536 ± 0.0005 Å |
| c | 23.9037 ± 0.0011 Å |
| α | 90° |
| β | 97.062 ± 0.005° |
| γ | 90° |
| Cell volume | 1974.74 ± 0.15 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 | 0.095 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218264.cif |
| 180513 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82. |
7218264.cif |
| 133449 | 2015-03-06 | cif/ Updating files of 7218262, 7218263, 7218264 Original log message: Adding full bibliography for 7218262--7218264.cif. |
7218264.cif |
| 124251 | 2014-09-26 | cif/ Adding structures of 7218262, 7218263, 7218264 via cif-deposit CGI script. |
7218264.cif |
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Users of the data should acknowledge the original authors of the
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