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Information card for entry 7232861
Preview
| Coordinates | 7232861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 3-Isopropyl-12-methyl-6H-isochromeno[4,3-c]quinoline-6,11(12H)-dione |
|---|---|
| Formula | C20 H17 N O3 |
| Calculated formula | C20 H17 N O3 |
| Title of publication | One-pot construction of diverse and functionalized isochromenoquinolinediones by Rh(iii)-catalyzed annulation of unprotected arylamides with 3-diazoquinolinediones and their application for fluorescence sensor |
| Authors of publication | Shrestha, Rajeev; Khanal, Hari Datta; Lee, Yong Rok |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 30 |
| Pages of publication | 17347 |
| a | 12.9877 ± 0.0007 Å |
| b | 16.1253 ± 0.0009 Å |
| c | 7.4653 ± 0.0004 Å |
| α | 90° |
| β | 102.663 ± 0.0019° |
| γ | 90° |
| Cell volume | 1525.43 ± 0.14 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0987 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232861.cif |
| 215685 | 2019-06-04 | cif/ Adding structures of 7232861 via cif-deposit CGI script. |
7232861.cif |
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Users of the data should acknowledge the original authors of the
structural data.