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Information card for entry 7157303
Preview
| Coordinates | 7157303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 N3 |
|---|---|
| Calculated formula | C25 H21 N3 |
| Title of publication | Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate. |
| Authors of publication | Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 975 - 982 |
| a | 11.6501 ± 0.0004 Å |
| b | 10.813 ± 0.0003 Å |
| c | 16.4196 ± 0.0005 Å |
| α | 90° |
| β | 106.886 ± 0.004° |
| γ | 90° |
| Cell volume | 1979.24 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0825 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1657 |
| Weighted residual factors for all reflections included in the refinement | 0.1887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7157303.cif |
| 249028 | 2020-03-05 | cif/ Updating files of 7157303 Original log message: Adding full bibliography for 7157303.cif. |
7157303.cif |
| 246585 | 2020-01-04 | cif/ Adding structures of 7157303 via cif-deposit CGI script. |
7157303.cif |
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Users of the data should acknowledge the original authors of the
structural data.