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Information card for entry 7157322
Preview
| Coordinates | 7157322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H10 N2 O2 |
|---|---|
| Calculated formula | C9 H10 N2 O2 |
| Title of publication | Boric acid catalyzed chemoselective reduction of quinolines. |
| Authors of publication | Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1214 - 1220 |
| a | 7.5569 ± 0.0007 Å |
| b | 7.5729 ± 0.0006 Å |
| c | 15.4076 ± 0.0014 Å |
| α | 90° |
| β | 101.729 ± 0.009° |
| γ | 90° |
| Cell volume | 863.33 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| 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. |
7157322.cif |
| 249034 | 2020-03-05 | cif/ Updating files of 7157322 Original log message: Adding full bibliography for 7157322.cif. |
7157322.cif |
| 247241 | 2020-01-25 | cif/ Adding structures of 7157322 via cif-deposit CGI script. |
7157322.cif |
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Users of the data should acknowledge the original authors of the
structural data.