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Information card for entry 7063181
Preview
| Coordinates | 7063181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3a |
|---|---|
| Formula | C15 H12 N2 O |
| Calculated formula | C15 H12 N2 O |
| Title of publication | KHMDS Mediated Ring-Opening/Reconstruction of Anthranils with Arylacetonitriles: Synthesis of Multisubstituted 2-Aminoquinoline N-Oxides |
| Authors of publication | Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| a | 10.8378 ± 0.0011 Å |
| b | 7.4709 ± 0.0007 Å |
| c | 15.5056 ± 0.0015 Å |
| α | 90° |
| β | 103.094 ± 0.003° |
| γ | 90° |
| Cell volume | 1222.8 ± 0.2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0894 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1826 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291349 (current) | 2024-04-25 | cif/ Adding structures of 7063181, 7063182 via cif-deposit CGI script. |
7063181.cif |
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