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Information card for entry 7250173
Preview
| Coordinates | 7250173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 N O |
|---|---|
| Calculated formula | C21 H15 N O |
| Title of publication | Brønsted acid-catalyzed two-component tandem condensation and cycloisomerization to 6(2H)-isoquinolinones |
| Authors of publication | Yang, Fang; Wang, Lin-Lin; Liu, Yu-Hua; Wu, Ke-Xin; Chen, Zi-Sheng; Ji, Kegong |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 8913 - 8917 |
| a | 12.5288 ± 0.0005 Å |
| b | 14.6591 ± 0.0005 Å |
| c | 16.0719 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2951.78 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298572 (current) | 2025-03-25 | cif/ Adding structures of 7250173 via cif-deposit CGI script. |
7250173.cif |
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Users of the data should acknowledge the original authors of the
structural data.