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Information card for entry 1520116
Preview
| Coordinates | 1520116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H19 N |
|---|---|
| Calculated formula | C28 H19 N |
| SMILES | n12c3ccccc3cc1c(c(c1ccccc21)c1ccccc1)c1ccccc1 |
| Title of publication | Aldehyde as a Traceless Directing Group for Rh(III)-Catalyzed C-H Activation: A Facile Access to Diverse Indolo[1,2-a]quinolines. |
| Authors of publication | Liu, Xingyan; Li, Xiaoyu; Liu, Hu; Guo, Qiang; Lan, Jingbo; Wang, Ruilin; You, Jingsong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 2936 - 2939 |
| a | 9.0455 ± 0.0019 Å |
| b | 9.563 ± 0.002 Å |
| c | 11.529 ± 0.002 Å |
| α | 103.716 ± 0.018° |
| β | 98.763 ± 0.017° |
| γ | 98.986 ± 0.019° |
| Cell volume | 938.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1332 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.1909 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520116.cif |
| 140266 | 2015-07-05 | cif/ Updating files of 1520116 Original log message: Adding full bibliography for 1520116.cif. |
1520116.cif |
| 137547 | 2015-05-30 | cif/ Adding structures of 1520116 via cif-deposit CGI script. |
1520116.cif |
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Users of the data should acknowledge the original authors of the
structural data.