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Information card for entry 7157298
Preview
| Coordinates | 7157298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 5,5-dimethyl-12-phenylindolo[2,1-a]isoquinolin-6(5H)-one |
|---|---|
| Formula | C24 H19 N O |
| Calculated formula | C24 H19 N O |
| Title of publication | Visible-light-induced intramolecular radical cascade of α-bromo-N-benzyl-alkylamides: a new strategy to synthesize tetracyclic N-fused indolo[2,1-a]isoquinolin-6(5H)-ones. |
| Authors of publication | Gao, Xiaoshuang; Li, Chengyang; Yuan, Yao; Xie, Xiaomin; Zhang, Zhaoguo |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 263 - 271 |
| a | 10.3896 ± 0.0008 Å |
| b | 10.1601 ± 0.0012 Å |
| c | 17.175 ± 0.003 Å |
| α | 90° |
| β | 102.57 ± 0.008° |
| γ | 90° |
| Cell volume | 1769.5 ± 0.4 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157298.cif |
| 247816 | 2020-02-04 | cif/ Updating files of 7157298 Original log message: Adding full bibliography for 7157298.cif. |
7157298.cif |
| 246403 | 2020-01-01 | cif/ Adding structures of 7157298 via cif-deposit CGI script. |
7157298.cif |
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Users of the data should acknowledge the original authors of the
structural data.